3-amino-6-methyl-1-benzothiophene-7-thiol

C9H9NS2 — CID 130951763

IUPAC3-amino-6-methyl-1-benzothiophene-7-thiol
SMILESCc1ccc2c(N)csc2c1S
InChIInChI=1S/C9H9NS2/c1-5-2-3-6-7(10)4-12-9(6)8(5)11/h2-4,11H,10H2,1H3
InChIKeyBJPFGISCFGMCSW-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.08
Rot. Bonds

About 3-amino-6-methyl-1-benzothiophene-7-thiol

3-amino-6-methyl-1-benzothiophene-7-thiol (PubChem CID 130951763) has the molecular formula C9H9NS2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-amino-6-methyl-1-benzothiophene-7-thiol.

Molecular Properties

Compound Name3-amino-6-methyl-1-benzothiophene-7-thiol
PubChem CID130951763
Molecular FormulaC9H9NS2
Molecular Weight195.31 g/mol
Exact Mass195.02
IUPAC Name3-amino-6-methyl-1-benzothiophene-7-thiol
SMILESCc1ccc2c(N)csc2c1S
InChIInChI=1S/C9H9NS2/c1-5-2-3-6-7(10)4-12-9(6)8(5)11/h2-4,11H,10H2,1H3
InChIKeyBJPFGISCFGMCSW-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-7-methyl-1-benzothiophen-6-ol
CID 131096676
3-amino-7-methyl-1-benzothiophene-6-carbonitrile
CID 130803323
6-methoxy-3-methyl-1-benzothiophene-7-thiol
CID 130971315
3-amino-7-methoxy-1-benzothiophen-6-ol
CID 130821156
3,6-dimethylbenzene-1,2-dithiol
CID 10036980
6-amino-3-(difluoromethyl)-1-benzothiophene-7-thiol
CID 130854955
6-bromo-7-iodo-1-benzothiophen-3-amine
CID 130985110
3-methyl-1-benzothiophen-7-amine
CID 12675888
3-amino-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 130956610
7-amino-4-methyl-1-benzothiophene-3-carbonitrile
CID 130914465
6-amino-2-methoxy-3-methylbenzenethiol
CID 20566093
[3-amino-7-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130914343

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-benzothiophene-7-thiol?
The IUPAC name of 3-amino-6-methyl-1-benzothiophene-7-thiol (CID 130951763) is 3-amino-6-methyl-1-benzothiophene-7-thiol.
What is the SMILES notation for 3-amino-6-methyl-1-benzothiophene-7-thiol?
The canonical SMILES for 3-amino-6-methyl-1-benzothiophene-7-thiol is Cc1ccc2c(N)csc2c1S.
What is the InChIKey of 3-amino-6-methyl-1-benzothiophene-7-thiol?
The InChIKey is BJPFGISCFGMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS2/c1-5-2-3-6-7(10)4-12-9(6)8(5)11/h2-4,11H,10H2,1H3.
What are the key properties of 3-amino-6-methyl-1-benzothiophene-7-thiol?
3-amino-6-methyl-1-benzothiophene-7-thiol has a molecular weight of 195.31 g/mol, XLogP of 3.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-benzothiophene-7-thiol is sourced from PubChem (CID 130951763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).