2-methyl-4-methylsulfanylaniline

C8H11NS — CID 14361990

IUPAC2-methyl-4-methylsulfanylaniline
SMILESCSc1ccc(N)c(C)c1
InChIInChI=1S/C8H11NS/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
InChIKeyJKYNEUYDCSNWAO-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.30
Rot. Bonds1

About 2-methyl-4-methylsulfanylaniline

2-methyl-4-methylsulfanylaniline (PubChem CID 14361990) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanylaniline.

Molecular Properties

Compound Name2-methyl-4-methylsulfanylaniline
PubChem CID14361990
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2-methyl-4-methylsulfanylaniline
SMILESCSc1ccc(N)c(C)c1
InChIInChI=1S/C8H11NS/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
InChIKeyJKYNEUYDCSNWAO-UHFFFAOYSA-N
XLogP2.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Methylthio)aniline
CID 66038
2-(Benzylthio)aniline
CID 80616
p-Toluidine, alpha-(phenylthio)-
CID 96784
4-Methanesulfonyl-3-methylaniline
CID 825918
benzenesulfonic acid, 4-amino-3-methyl-, monosodium salt
CID 23695986
[(4-Amino-3-ethyl-5-methylphenyl)sulfanyl]formonitrile
CID 2330514
[(4-Amino-3-ethylphenyl)sulfanyl]formonitrile
CID 2410351
Benzenamine, 4-(((4-methylphenyl)thio)methyl)-
CID 96779
4-(M-Tolylthio)aniline
CID 459375
4-Amino-3,5-dimethylphenyl thiocyanate
CID 2302323
4-(Tert-butylsulfanyl)aniline
CID 10910177
2-Methyl-4-(phenylthio)benzenamine
CID 10536649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanylaniline?
The IUPAC name of 2-methyl-4-methylsulfanylaniline (CID 14361990) is 2-methyl-4-methylsulfanylaniline.
What is the SMILES notation for 2-methyl-4-methylsulfanylaniline?
The canonical SMILES for 2-methyl-4-methylsulfanylaniline is CSc1ccc(N)c(C)c1.
What is the InChIKey of 2-methyl-4-methylsulfanylaniline?
The InChIKey is JKYNEUYDCSNWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3.
What are the key properties of 2-methyl-4-methylsulfanylaniline?
2-methyl-4-methylsulfanylaniline has a molecular weight of 153.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanylaniline is sourced from PubChem (CID 14361990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).