4-(2-aminoanilino)-2-methylbenzenethiol

C13H14N2S — CID 174466890

IUPAC4-(2-aminoanilino)-2-methylbenzenethiol
SMILESCc1cc(Nc2ccccc2N)ccc1S
InChIInChI=1S/C13H14N2S/c1-9-8-10(6-7-13(9)16)15-12-5-3-2-4-11(12)14/h2-8,15-16H,14H2,1H3
InChIKeyQDZMBDAUMGSSHF-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.61
Rot. Bonds2

About 4-(2-aminoanilino)-2-methylbenzenethiol

4-(2-aminoanilino)-2-methylbenzenethiol (PubChem CID 174466890) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-(2-aminoanilino)-2-methylbenzenethiol.

Molecular Properties

Compound Name4-(2-aminoanilino)-2-methylbenzenethiol
PubChem CID174466890
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-(2-aminoanilino)-2-methylbenzenethiol
SMILESCc1cc(Nc2ccccc2N)ccc1S
InChIInChI=1S/C13H14N2S/c1-9-8-10(6-7-13(9)16)15-12-5-3-2-4-11(12)14/h2-8,15-16H,14H2,1H3
InChIKeyQDZMBDAUMGSSHF-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-bromo-4-methylphenyl)benzene-1,2-diamine
CID 63333214
2-N-(3-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 29067362
2-N-[3-(2-aminoanilino)phenyl]benzene-1,2-diamine
CID 18522059
4-N-(2-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436298
2-methyl-4-N-(2-phenylphenyl)benzene-1,4-diamine
CID 43436248
2-N-(3-bromo-5-methylphenyl)benzene-1,2-diamine
CID 107581799
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178
2-N-[3-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 3729763
[4-(2-aminoanilino)phenyl]-(2-methylphenyl)methanone
CID 11324104
2-N-(1-benzothiophen-5-yl)benzene-1,2-diamine
CID 65475625
2-N-(4-bromo-2-methylphenyl)benzene-1,2-diamine
CID 18404976
1-[4-(2-aminoanilino)phenyl]ethanone
CID 82287828

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoanilino)-2-methylbenzenethiol?
The IUPAC name of 4-(2-aminoanilino)-2-methylbenzenethiol (CID 174466890) is 4-(2-aminoanilino)-2-methylbenzenethiol.
What is the SMILES notation for 4-(2-aminoanilino)-2-methylbenzenethiol?
The canonical SMILES for 4-(2-aminoanilino)-2-methylbenzenethiol is Cc1cc(Nc2ccccc2N)ccc1S.
What is the InChIKey of 4-(2-aminoanilino)-2-methylbenzenethiol?
The InChIKey is QDZMBDAUMGSSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-8-10(6-7-13(9)16)15-12-5-3-2-4-11(12)14/h2-8,15-16H,14H2,1H3.
What are the key properties of 4-(2-aminoanilino)-2-methylbenzenethiol?
4-(2-aminoanilino)-2-methylbenzenethiol has a molecular weight of 230.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoanilino)-2-methylbenzenethiol is sourced from PubChem (CID 174466890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).