1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene

C12H18S2 — CID 146406080

IUPAC1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene
SMILESCCSC(C)CSc1ccc(C)cc1
InChIInChI=1S/C12H18S2/c1-4-13-11(3)9-14-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3
InChIKeyBYDINVSDCOQQON-UHFFFAOYSA-N
MW226.41 g/mol
LogP4.23
Rot. Bonds5

About 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene

1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene (PubChem CID 146406080) has the molecular formula C12H18S2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene
PubChem CID146406080
Molecular FormulaC12H18S2
Molecular Weight226.41 g/mol
Exact Mass226.08
IUPAC Name1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene
SMILESCCSC(C)CSc1ccc(C)cc1
InChIInChI=1S/C12H18S2/c1-4-13-11(3)9-14-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3
InChIKeyBYDINVSDCOQQON-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene 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

ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
(2S)-3-methyl-1-(4-methylphenyl)sulfanylbutan-2-ol
CID 11401570
(2S)-1-(4-methylphenyl)sulfanylheptan-2-ol
CID 102244246
(2S)-1-(4-methylphenyl)sulfanyldodecan-2-ol
CID 11232092
4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
CID 82920228
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
1-butylsulfanyl-4-methylbenzene;ethane
CID 145281456
1-(2-chloro-2-methoxyethyl)sulfanyl-4-methylbenzene
CID 11106800
[4-methyl-1-(4-methylphenyl)sulfanylhexan-2-yl]hydrazine
CID 105236985
2-ethoxy-3-(4-methylphenyl)sulfanylpropan-1-amine
CID 63070071
2-[1-(4-methylphenyl)sulfanylpropan-2-ylamino]ethanol
CID 119091882
1-methyl-4-octan-2-ylsulfanylbenzene
CID 14067707

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene?
The IUPAC name of 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene (CID 146406080) is 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene.
What is the SMILES notation for 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene?
The canonical SMILES for 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene is CCSC(C)CSc1ccc(C)cc1.
What is the InChIKey of 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene?
The InChIKey is BYDINVSDCOQQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S2/c1-4-13-11(3)9-14-12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3.
What are the key properties of 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene?
1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene has a molecular weight of 226.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfanylpropylsulfanyl)-4-methylbenzene is sourced from PubChem (CID 146406080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).