2-amino-6-methylbenzenethiol

C7H9NS — CID 10678313

IUPAC2-amino-6-methylbenzenethiol
SMILESCc1cccc(N)c1S
InChIInChI=1S/C7H9NS/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,8H2,1H3
InChIKeyDJXMZLKYKIVBRU-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.87
Rot. Bonds

About 2-amino-6-methylbenzenethiol

2-amino-6-methylbenzenethiol (PubChem CID 10678313) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-amino-6-methylbenzenethiol.

Molecular Properties

Compound Name2-amino-6-methylbenzenethiol
PubChem CID10678313
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name2-amino-6-methylbenzenethiol
SMILESCc1cccc(N)c1S
InChIInChI=1S/C7H9NS/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,8H2,1H3
InChIKeyDJXMZLKYKIVBRU-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.87
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

m-Toluidine
CID 7934
3-Ethylaniline
CID 11475
m-Toluidine hydrochloride
CID 522105
2-Amino-4-(trifluoromethyl)benzenethiol hydrochloride
CID 2734678
2-Amino-5-methylbenzene-1-thiol
CID 323260
m-Toluidinium chloride
CID 12515
3-Aminostyrene
CID 4260041
3-(Prop-1-en-2-yl)aniline
CID 13879152
2-Amino-4-(trifluoromethyl)benzenethiol
CID 88042
2-Amino-4-methylbenzene-1-thiol
CID 12199295
2-Amino-3-methylbenzene-1-thiol
CID 12678668
3-Aminobenzenecarbothioamide
CID 2060897

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylbenzenethiol?
The IUPAC name of 2-amino-6-methylbenzenethiol (CID 10678313) is 2-amino-6-methylbenzenethiol.
What is the SMILES notation for 2-amino-6-methylbenzenethiol?
The canonical SMILES for 2-amino-6-methylbenzenethiol is Cc1cccc(N)c1S.
What is the InChIKey of 2-amino-6-methylbenzenethiol?
The InChIKey is DJXMZLKYKIVBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,8H2,1H3.
What are the key properties of 2-amino-6-methylbenzenethiol?
2-amino-6-methylbenzenethiol has a molecular weight of 139.22 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylbenzenethiol is sourced from PubChem (CID 10678313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).