Loading [MathJax]/jax/output/HTML-CSS/jax.js

We use cookies to analyze our website traffic for enhancement
and to serve you a better experience for your search. View cookie policy

Deep Data
Home Molecular Weight This Compound
loading

Molecular Weight of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol (C10H12BrNO3S)

Powered by CC-DPS Delivering 2,100+ Information Sets per Compound.

2D chemical structure image of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol
Chemical Formula C10H12BrNO3S
Molecular Weight 306.17618 g/mol
IUPAC Name 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol
SMILES String OCCCSCc1ccc(Br)c(c1)[N+]([O-])=O
InChI InChI=1S/C10H12BrNO3S/c11-9-3-2-8(6-10(9)12(14)15)7-16-5-1-4-13/h2-3,6,13H,1,4-5,7H2
InChIKey CFSRELFNYFSXPI-UHFFFAOYSA-N
Citation CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network.

Content on this page is sourced from CC-DPS (Chemical Compounds Deep Profiling Services), which provides more than 2,100 additional essential information sets for each chemical compound. Discover CC-DPS

Molecular Weight Description

The 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol molecule consists of 12 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), 1 Sulfur atom(s), and 1 Bromine atom(s) - a total of 28 atom(s). The molecular weight of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

306.17618·gmol

The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.

Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

3D chemical structure image of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol
Ball-and-stick model of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol

Search Another Molecular Weight

Enter another compound to search for molecular weight:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol Molecule

  • InChI (IUPAC International Chemical Identifier) information of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol

    In addition to the molecular weight information, the structural information of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol in a textual expression is available via InChi. The full standard InChI of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol is given below:

    InChI=1S/C10H12BrNO3S/c11-9-3-2-8(6-10(9)12(14)15)7-16-5-1-4-13/h2-3,6,13H,1,4-5,7H2

    It can provide a way to encode the molecular information of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol is:

    InChIKey=CFSRELFNYFSXPI-UHFFFAOYSA-N

    It may allow easier web searches for 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol as the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol

    There may be different names of the 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:



    None available.

3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol?
C10H12BrNO3S
How many atoms and what are the elements in the 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol molecule?
28 atom(s) - 12 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), 3 Oxygen atom(s), 1 Sulfur atom(s), and 1 Bromine atom(s)
How many chemical bonds and what types of bonds are in the 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol structure?
28 bond(s) - 16 non-H bond(s), 8 multiple bond(s), 6 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 nitro group(s) (aromatic), 1 hydroxyl group(s), 1 primary alcohol(s), and 1 sulfide(s)
What’s the molar mass of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol?
306.17618 g/mol
What’s the SMILES format of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol?
OCCCSCc1ccc(Br)c(c1)[N+]([O-])=O
What’s the InChI format of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol?
InChI=1S/C10H12BrNO3S/c11-9-3-2-8(6-10(9)12(14)15)7-16-5-1-4-13/h2-3,6,13H,1,4-5,7H2
What’s the InChIKey string of 3-{[(4-bromo-3-nitrophenyl)methyl]sulfanyl}propan-1-ol?
CFSRELFNYFSXPI-UHFFFAOYSA-N