ethane;methane;methylsulfanylmethylbenzene

C12H24S — CID 161395103

IUPACethane;methane;methylsulfanylmethylbenzene
SMILESC.C.CC.CSCc1ccccc1
InChIInChI=1S/C8H10S.C2H6.2CH4/c1-9-7-8-5-3-2-4-6-8;1-2;;/h2-6H,7H2,1H3;1-2H3;2*1H4
InChIKeyVTMNYGXWUWGWIG-UHFFFAOYSA-N
MW200.39 g/mol
LogP4.85
Rot. Bonds2

About ethane;methane;methylsulfanylmethylbenzene

ethane;methane;methylsulfanylmethylbenzene (PubChem CID 161395103) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is ethane;methane;methylsulfanylmethylbenzene.

Molecular Properties

Compound Nameethane;methane;methylsulfanylmethylbenzene
PubChem CID161395103
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Nameethane;methane;methylsulfanylmethylbenzene
SMILESC.C.CC.CSCc1ccccc1
InChIInChI=1S/C8H10S.C2H6.2CH4/c1-9-7-8-5-3-2-4-6-8;1-2;;/h2-6H,7H2,1H3;1-2H3;2*1H4
InChIKeyVTMNYGXWUWGWIG-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;methane;methylsulfanylmethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbon monoxide;chromium;methylsulfanylmethylbenzene
CID 11000241
2-methylbutane;methylsulfanylmethylbenzene
CID 143884311
ethane;methoxyethane;methylsulfanylethane;methylsulfanylmethylbenzene;naphthalene
CID 161313469
1-(methylsulfanylmethyl)-4-phenylsulfanylbenzene
CID 143570117
1-benzyl-3-(methylsulfanylmethyl)benzene
CID 123343533
(benzyltetrasulfanyl)methylbenzene;ethane
CID 143979084
ethane;hydroxysulfanylmethylbenzene
CID 143821204
ethane;methane;2-phenylethylbenzene
CID 158652330
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
ethane;N-methyl-4-(methylsulfanylmethyl)aniline
CID 142449125
iodomethylsulfanylmethylbenzene
CID 12664832
2-[4-(methylsulfanylmethyl)phenyl]-2-phenylpropanedinitrile
CID 142185352

Frequently Asked Questions

What is the IUPAC name of ethane;methane;methylsulfanylmethylbenzene?
The IUPAC name of ethane;methane;methylsulfanylmethylbenzene (CID 161395103) is ethane;methane;methylsulfanylmethylbenzene.
What is the SMILES notation for ethane;methane;methylsulfanylmethylbenzene?
The canonical SMILES for ethane;methane;methylsulfanylmethylbenzene is C.C.CC.CSCc1ccccc1.
What is the InChIKey of ethane;methane;methylsulfanylmethylbenzene?
The InChIKey is VTMNYGXWUWGWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S.C2H6.2CH4/c1-9-7-8-5-3-2-4-6-8;1-2;;/h2-6H,7H2,1H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;methylsulfanylmethylbenzene?
ethane;methane;methylsulfanylmethylbenzene has a molecular weight of 200.39 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methylsulfanylmethylbenzene is sourced from PubChem (CID 161395103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).