3-methyl-5-thiophen-2-ylsulfanylaniline

C11H11NS2 — CID 112648742

IUPAC3-methyl-5-thiophen-2-ylsulfanylaniline
SMILESCc1cc(N)cc(Sc2cccs2)c1
InChIInChI=1S/C11H11NS2/c1-8-5-9(12)7-10(6-8)14-11-3-2-4-13-11/h2-7H,12H2,1H3
InChIKeyAMLNOFGPAMEVGO-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.79
Rot. Bonds2

About 3-methyl-5-thiophen-2-ylsulfanylaniline

3-methyl-5-thiophen-2-ylsulfanylaniline (PubChem CID 112648742) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-methyl-5-thiophen-2-ylsulfanylaniline.

Molecular Properties

Compound Name3-methyl-5-thiophen-2-ylsulfanylaniline
PubChem CID112648742
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC Name3-methyl-5-thiophen-2-ylsulfanylaniline
SMILESCc1cc(N)cc(Sc2cccs2)c1
InChIInChI=1S/C11H11NS2/c1-8-5-9(12)7-10(6-8)14-11-3-2-4-13-11/h2-7H,12H2,1H3
InChIKeyAMLNOFGPAMEVGO-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-phenylsulfanylaniline
CID 112648713
3-methyl-5-(3-methylphenyl)sulfanylaniline
CID 112648769
1-(2-amino-4-thiophen-2-ylsulfanylphenyl)ethanone
CID 104529425
(1S)-1-(4-thiophen-2-ylsulfanylphenyl)ethanamine
CID 28602971
(2-methyl-4-thiophen-2-ylsulfanylphenyl)methanol
CID 63813796
3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 112648834
N-methyl-3-thiophen-2-ylsulfanylaniline
CID 117033150
5-(4-methylphenyl)sulfanylbenzene-1,3-diamine
CID 139969677
6-methyl-4-thiophen-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334108
1,3-bis[(3,5-dimethylphenyl)sulfanyl]-5-methylbenzene
CID 58611442
2-(4-propylphenyl)sulfanylthiophene
CID 67533746
2-(3-amino-5-methylphenyl)sulfanylethanol
CID 112648757

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-thiophen-2-ylsulfanylaniline?
The IUPAC name of 3-methyl-5-thiophen-2-ylsulfanylaniline (CID 112648742) is 3-methyl-5-thiophen-2-ylsulfanylaniline.
What is the SMILES notation for 3-methyl-5-thiophen-2-ylsulfanylaniline?
The canonical SMILES for 3-methyl-5-thiophen-2-ylsulfanylaniline is Cc1cc(N)cc(Sc2cccs2)c1.
What is the InChIKey of 3-methyl-5-thiophen-2-ylsulfanylaniline?
The InChIKey is AMLNOFGPAMEVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c1-8-5-9(12)7-10(6-8)14-11-3-2-4-13-11/h2-7H,12H2,1H3.
What are the key properties of 3-methyl-5-thiophen-2-ylsulfanylaniline?
3-methyl-5-thiophen-2-ylsulfanylaniline has a molecular weight of 221.35 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-thiophen-2-ylsulfanylaniline is sourced from PubChem (CID 112648742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).