2-methylsulfanyl-1-phenylpyrrole

C11H11NS — CID 151074819

IUPAC2-methylsulfanyl-1-phenylpyrrole
SMILESCSc1cccn1-c1ccccc1
InChIInChI=1S/C11H11NS/c1-13-11-8-5-9-12(11)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyMIWUDQYGQLHBHO-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.20
Rot. Bonds2

About 2-methylsulfanyl-1-phenylpyrrole

2-methylsulfanyl-1-phenylpyrrole (PubChem CID 151074819) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-methylsulfanyl-1-phenylpyrrole.

Molecular Properties

Compound Name2-methylsulfanyl-1-phenylpyrrole
PubChem CID151074819
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name2-methylsulfanyl-1-phenylpyrrole
SMILESCSc1cccn1-c1ccccc1
InChIInChI=1S/C11H11NS/c1-13-11-8-5-9-12(11)10-6-3-2-4-7-10/h2-9H,1H3
InChIKeyMIWUDQYGQLHBHO-UHFFFAOYSA-N
XLogP3.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methylsulfanyl-1-phenylpyrrole 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

2-Phenylthiopyridine
CID 817760
Pyridine, 2-(methylthio)-
CID 29076
1-Phenylpyrrole
CID 12480
N,N-Dimethyl-4-(1H-pyrrol-1-yl)aniline
CID 272429
6-(Phenylsulfanyl)-3-pyridinamine
CID 699576
N-(4-fluorophenyl)pyrrole
CID 727844
3-(Phenylsulfanyl)pyridine
CID 3813610
1-(4-(methylsulfonyl)phenyl)-1H-pyrrole
CID 22316981
(2Z)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazole
CID 24761363
1-methyl-2-[(Z)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]pyridinium
CID 24761362
6-(Methylsulfanyl)pyridin-3-amine
CID 10261179
2-[(1-Butylpyridin-1-ium-2-yl)methylidene]-3-ethyl-1,3-benzothiazole
CID 54587964

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-phenylpyrrole?
The IUPAC name of 2-methylsulfanyl-1-phenylpyrrole (CID 151074819) is 2-methylsulfanyl-1-phenylpyrrole.
What is the SMILES notation for 2-methylsulfanyl-1-phenylpyrrole?
The canonical SMILES for 2-methylsulfanyl-1-phenylpyrrole is CSc1cccn1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-1-phenylpyrrole?
The InChIKey is MIWUDQYGQLHBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-13-11-8-5-9-12(11)10-6-3-2-4-7-10/h2-9H,1H3.
What are the key properties of 2-methylsulfanyl-1-phenylpyrrole?
2-methylsulfanyl-1-phenylpyrrole has a molecular weight of 189.28 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-phenylpyrrole is sourced from PubChem (CID 151074819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).