7-amino-2-methoxy-1-benzothiophene-5-thiol

C9H9NOS2 — CID 131123892

IUPAC7-amino-2-methoxy-1-benzothiophene-5-thiol
SMILESCOc1cc2cc(S)cc(N)c2s1
InChIInChI=1S/C9H9NOS2/c1-11-8-3-5-2-6(12)4-7(10)9(5)13-8/h2-4,12H,10H2,1H3
InChIKeyZPYCPIXEHTXWHD-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.78
Rot. Bonds1

About 7-amino-2-methoxy-1-benzothiophene-5-thiol

7-amino-2-methoxy-1-benzothiophene-5-thiol (PubChem CID 131123892) has the molecular formula C9H9NOS2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 7-amino-2-methoxy-1-benzothiophene-5-thiol.

Molecular Properties

Compound Name7-amino-2-methoxy-1-benzothiophene-5-thiol
PubChem CID131123892
Molecular FormulaC9H9NOS2
Molecular Weight211.31 g/mol
Exact Mass211.01
IUPAC Name7-amino-2-methoxy-1-benzothiophene-5-thiol
SMILESCOc1cc2cc(S)cc(N)c2s1
InChIInChI=1S/C9H9NOS2/c1-11-8-3-5-2-6(12)4-7(10)9(5)13-8/h2-4,12H,10H2,1H3
InChIKeyZPYCPIXEHTXWHD-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-2-methoxy-1-benzothiophene-5-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-2-methoxy-1-benzothiophen-6-amine
CID 130956275
5-chloro-2-methoxy-1-benzothiophene-7-thiol
CID 131076226
5-iodo-2-methoxy-1-benzothiophene-7-thiol
CID 131169474
2-methoxy-6-methyl-1-benzothiophen-5-amine
CID 130885316
6-chloro-2-methoxy-1-benzothiophen-7-amine
CID 130961312
2-methoxy-6-methylsulfanyl-1-benzothiophen-7-amine
CID 130840003
6-amino-2-methoxy-1-benzothiophene-5-carbonitrile
CID 131033940
2,5-dibromo-1-benzothiophen-7-amine
CID 130870284
2-chloro-5-methyl-1-benzothiophen-7-amine
CID 131034093
2-amino-7-methoxy-1-benzothiophene-4-thiol
CID 130820839
7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 131146482
2-chloro-1-benzothiophene-5,7-diamine
CID 131080471

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-methoxy-1-benzothiophene-5-thiol?
The IUPAC name of 7-amino-2-methoxy-1-benzothiophene-5-thiol (CID 131123892) is 7-amino-2-methoxy-1-benzothiophene-5-thiol.
What is the SMILES notation for 7-amino-2-methoxy-1-benzothiophene-5-thiol?
The canonical SMILES for 7-amino-2-methoxy-1-benzothiophene-5-thiol is COc1cc2cc(S)cc(N)c2s1.
What is the InChIKey of 7-amino-2-methoxy-1-benzothiophene-5-thiol?
The InChIKey is ZPYCPIXEHTXWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS2/c1-11-8-3-5-2-6(12)4-7(10)9(5)13-8/h2-4,12H,10H2,1H3.
What are the key properties of 7-amino-2-methoxy-1-benzothiophene-5-thiol?
7-amino-2-methoxy-1-benzothiophene-5-thiol has a molecular weight of 211.31 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-methoxy-1-benzothiophene-5-thiol is sourced from PubChem (CID 131123892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).