2-aminobenzenethiol

C6H7NS — CID 8713

IUPAC2-aminobenzenethiol
SMILESNc1ccccc1S
InChIInChI=1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
InChIKeyVRVRGVPWCUEOGV-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.56
Rot. Bonds

About 2-aminobenzenethiol

2-aminobenzenethiol (PubChem CID 8713) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 2-aminobenzenethiol.

Molecular Properties

Compound Name2-aminobenzenethiol
PubChem CID8713
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name2-aminobenzenethiol
SMILESNc1ccccc1S
InChIInChI=1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
InChIKeyVRVRGVPWCUEOGV-UHFFFAOYSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Aniline
CID 6115
2-Aminobenzenesulfonic acid
CID 6926
2-Aminobenzenesulfonamide
CID 72894
Bis(2-aminophenyl) disulfide
CID 14358
2-(Phenylthio)aniline
CID 365393
[(4-Aminophenyl)sulfanyl]formonitrile
CID 76336
2-(Methylthio)aniline
CID 76337
Aniline-d5
CID 123211
2-(Isopropylthio)aniline
CID 13852720
2-Amino-5-methylbenzene-1-thiol
CID 323260
4-Aminothiophenol
CID 14510
2-Amino-5-fluorobenzene-1-thiol
CID 320547

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzenethiol?
The IUPAC name of 2-aminobenzenethiol (CID 8713) is 2-aminobenzenethiol.
What is the SMILES notation for 2-aminobenzenethiol?
The canonical SMILES for 2-aminobenzenethiol is Nc1ccccc1S.
What is the InChIKey of 2-aminobenzenethiol?
The InChIKey is VRVRGVPWCUEOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2.
What are the key properties of 2-aminobenzenethiol?
2-aminobenzenethiol has a molecular weight of 125.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenethiol is sourced from PubChem (CID 8713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).