6,7-diamino-1-benzothiophene-5-thiol

C8H8N2S2 — CID 131169667

IUPAC6,7-diamino-1-benzothiophene-5-thiol
SMILESNc1c(S)cc2ccsc2c1N
InChIInChI=1S/C8H8N2S2/c9-6-5(11)3-4-1-2-12-8(4)7(6)10/h1-3,11H,9-10H2
InChIKeyYLSDLBBUCHYWCQ-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.35
Rot. Bonds

About 6,7-diamino-1-benzothiophene-5-thiol

6,7-diamino-1-benzothiophene-5-thiol (PubChem CID 131169667) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 6,7-diamino-1-benzothiophene-5-thiol.

Molecular Properties

Compound Name6,7-diamino-1-benzothiophene-5-thiol
PubChem CID131169667
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name6,7-diamino-1-benzothiophene-5-thiol
SMILESNc1c(S)cc2ccsc2c1N
InChIInChI=1S/C8H8N2S2/c9-6-5(11)3-4-1-2-12-8(4)7(6)10/h1-3,11H,9-10H2
InChIKeyYLSDLBBUCHYWCQ-UHFFFAOYSA-N
XLogP2.35
TPSA52.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-7-fluoro-1-benzothiophene-5-thiol
CID 130816569
5-chloro-7-methyl-1-benzothiophen-6-amine
CID 130969770
6-methylsulfanyl-1-benzothiophene-5,7-diamine
CID 131053735
6-methoxy-7-methyl-1-benzothiophene-5-thiol
CID 130944023
7-bromo-6-chloro-1-benzothiophene-5-thiol
CID 131030970
5-amino-7-sulfanyl-1-benzothiophen-6-ol
CID 131122569
7-methyl-1-benzothiophen-5-amine
CID 90308865
6-(bromomethyl)-5-sulfanyl-1-benzothiophen-7-ol
CID 131031347
7-amino-5-bromo-1-benzothiophene-6-carbonitrile
CID 131053444
5-propan-2-yl-1-benzothiophen-7-amine
CID 138632945
7-chloro-1-benzothiophen-5-amine
CID 68726057
7-chloro-6-nitro-1-benzothiophene-5-thiol
CID 131145101

Frequently Asked Questions

What is the IUPAC name of 6,7-diamino-1-benzothiophene-5-thiol?
The IUPAC name of 6,7-diamino-1-benzothiophene-5-thiol (CID 131169667) is 6,7-diamino-1-benzothiophene-5-thiol.
What is the SMILES notation for 6,7-diamino-1-benzothiophene-5-thiol?
The canonical SMILES for 6,7-diamino-1-benzothiophene-5-thiol is Nc1c(S)cc2ccsc2c1N.
What is the InChIKey of 6,7-diamino-1-benzothiophene-5-thiol?
The InChIKey is YLSDLBBUCHYWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c9-6-5(11)3-4-1-2-12-8(4)7(6)10/h1-3,11H,9-10H2.
What are the key properties of 6,7-diamino-1-benzothiophene-5-thiol?
6,7-diamino-1-benzothiophene-5-thiol has a molecular weight of 196.30 g/mol, XLogP of 2.35, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diamino-1-benzothiophene-5-thiol is sourced from PubChem (CID 131169667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).