1-methyl-2-(2-methylphenyl)sulfanylpyrrole

C12H13NS — CID 102486126

IUPAC1-methyl-2-(2-methylphenyl)sulfanylpyrrole
SMILESCc1ccccc1Sc1cccn1C
InChIInChI=1S/C12H13NS/c1-10-6-3-4-7-11(10)14-12-8-5-9-13(12)2/h3-9H,1-2H3
InChIKeyRVQWCZUAYXNIIE-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.48
Rot. Bonds2

About 1-methyl-2-(2-methylphenyl)sulfanylpyrrole

1-methyl-2-(2-methylphenyl)sulfanylpyrrole (PubChem CID 102486126) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)sulfanylpyrrole.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)sulfanylpyrrole
PubChem CID102486126
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name1-methyl-2-(2-methylphenyl)sulfanylpyrrole
SMILESCc1ccccc1Sc1cccn1C
InChIInChI=1S/C12H13NS/c1-10-6-3-4-7-11(10)14-12-8-5-9-13(12)2/h3-9H,1-2H3
InChIKeyRVQWCZUAYXNIIE-UHFFFAOYSA-N
XLogP3.48
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-(2-methylphenyl)sulfanylpyrrole 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

1,9-bis[(2-methylphenyl)sulfanyl]dibenzothiophene
CID 15195497
2,4-dimethyl-1-(2-methylphenyl)sulfanylbenzene
CID 18738941
2-methyl-3-(2-methylphenyl)sulfanylbenzenethiol
CID 54090718
3-(2-methylphenyl)sulfanylthiophene
CID 10330634
1,3-dimethylpyridin-2-one;ethane
CID 91539152
1-bromo-4-(2-methylphenyl)sulfanylbenzene;ethane
CID 143619217
3,6-bis[(2-methylphenyl)sulfanyl]benzene-1,2-dicarbonitrile
CID 58583764
1-methyl-2-[(Z)-2-(2-methylphenyl)sulfanylethenyl]sulfanylbenzene
CID 166447004
1-methoxy-4-(2-methylphenyl)sulfanylbenzene
CID 58715666
1-Methyl-1H-pyrrole-2-selenol
CID 78061302
1-[4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 63835400
2-(2-methylphenyl)sulfanyl-N-phenylaniline
CID 145291254

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)sulfanylpyrrole?
The IUPAC name of 1-methyl-2-(2-methylphenyl)sulfanylpyrrole (CID 102486126) is 1-methyl-2-(2-methylphenyl)sulfanylpyrrole.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)sulfanylpyrrole?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)sulfanylpyrrole is Cc1ccccc1Sc1cccn1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)sulfanylpyrrole?
The InChIKey is RVQWCZUAYXNIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-10-6-3-4-7-11(10)14-12-8-5-9-13(12)2/h3-9H,1-2H3.
What are the key properties of 1-methyl-2-(2-methylphenyl)sulfanylpyrrole?
1-methyl-2-(2-methylphenyl)sulfanylpyrrole has a molecular weight of 203.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)sulfanylpyrrole is sourced from PubChem (CID 102486126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).