4-methyl-N-thiophen-2-ylsulfanylaniline

C11H11NS2 — CID 142220690

IUPAC4-methyl-N-thiophen-2-ylsulfanylaniline
SMILESCc1ccc(NSc2cccs2)cc1
InChIInChI=1S/C11H11NS2/c1-9-4-6-10(7-5-9)12-14-11-3-2-8-13-11/h2-8,12H,1H3
InChIKeyKKCYJVRFNUTFRU-UHFFFAOYSA-N
MW221.35 g/mol
LogP4.18
Rot. Bonds3

About 4-methyl-N-thiophen-2-ylsulfanylaniline

4-methyl-N-thiophen-2-ylsulfanylaniline (PubChem CID 142220690) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-N-thiophen-2-ylsulfanylaniline.

Molecular Properties

Compound Name4-methyl-N-thiophen-2-ylsulfanylaniline
PubChem CID142220690
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC Name4-methyl-N-thiophen-2-ylsulfanylaniline
SMILESCc1ccc(NSc2cccs2)cc1
InChIInChI=1S/C11H11NS2/c1-9-4-6-10(7-5-9)12-14-11-3-2-8-13-11/h2-8,12H,1H3
InChIKeyKKCYJVRFNUTFRU-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-N-thiophen-2-ylsulfanylaniline 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

N-(5-bromothiophen-2-yl)sulfanyl-4-methylaniline
CID 162732190
4-fluoro-3-nitro-N-thiophen-2-ylsulfanylaniline
CID 143022447
4,5-dimethyl-7-(thiophen-2-ylsulfanylamino)-1H-indole-2-carbaldehyde
CID 143310737
N-(fluoromethylsulfanyl)-4-methylaniline
CID 89407313
2-(phenyldisulfanyl)thiophene
CID 154097796
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 1075762
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
CID 62577112
N-methyl-3-thiophen-2-ylsulfanylaniline
CID 117033150
N-methyl-1-(1-thiophen-2-ylsulfanylcyclopropyl)methanamine
CID 117034892
3-methyl-5-thiophen-2-ylsulfanylaniline
CID 112648742

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-thiophen-2-ylsulfanylaniline?
The IUPAC name of 4-methyl-N-thiophen-2-ylsulfanylaniline (CID 142220690) is 4-methyl-N-thiophen-2-ylsulfanylaniline.
What is the SMILES notation for 4-methyl-N-thiophen-2-ylsulfanylaniline?
The canonical SMILES for 4-methyl-N-thiophen-2-ylsulfanylaniline is Cc1ccc(NSc2cccs2)cc1.
What is the InChIKey of 4-methyl-N-thiophen-2-ylsulfanylaniline?
The InChIKey is KKCYJVRFNUTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c1-9-4-6-10(7-5-9)12-14-11-3-2-8-13-11/h2-8,12H,1H3.
What are the key properties of 4-methyl-N-thiophen-2-ylsulfanylaniline?
4-methyl-N-thiophen-2-ylsulfanylaniline has a molecular weight of 221.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-thiophen-2-ylsulfanylaniline is sourced from PubChem (CID 142220690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).