thieno[3,2-c]pyridine-3-thiol

C7H5NS2 — CID 156766861

IUPACthieno[3,2-c]pyridine-3-thiol
SMILESSc1csc2ccncc12
InChIInChI=1S/C7H5NS2/c9-6-4-10-7-1-2-8-3-5(6)7/h1-4,9H
InChIKeyJWMWTEQAKWJLHC-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.59
Rot. Bonds

About thieno[3,2-c]pyridine-3-thiol

thieno[3,2-c]pyridine-3-thiol (PubChem CID 156766861) has the molecular formula C7H5NS2 and a molecular weight of 167.26 g/mol. Its IUPAC name is thieno[3,2-c]pyridine-3-thiol.

Molecular Properties

Compound Namethieno[3,2-c]pyridine-3-thiol
PubChem CID156766861
Molecular FormulaC7H5NS2
Molecular Weight167.26 g/mol
Exact Mass166.99
IUPAC Namethieno[3,2-c]pyridine-3-thiol
SMILESSc1csc2ccncc12
InChIInChI=1S/C7H5NS2/c9-6-4-10-7-1-2-8-3-5(6)7/h1-4,9H
InChIKeyJWMWTEQAKWJLHC-UHFFFAOYSA-N
XLogP2.59
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-c]pyridine-3-thiol?
The IUPAC name of thieno[3,2-c]pyridine-3-thiol (CID 156766861) is thieno[3,2-c]pyridine-3-thiol.
What is the SMILES notation for thieno[3,2-c]pyridine-3-thiol?
The canonical SMILES for thieno[3,2-c]pyridine-3-thiol is Sc1csc2ccncc12.
What is the InChIKey of thieno[3,2-c]pyridine-3-thiol?
The InChIKey is JWMWTEQAKWJLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS2/c9-6-4-10-7-1-2-8-3-5(6)7/h1-4,9H.
What are the key properties of thieno[3,2-c]pyridine-3-thiol?
thieno[3,2-c]pyridine-3-thiol has a molecular weight of 167.26 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-c]pyridine-3-thiol is sourced from PubChem (CID 156766861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).