6-methylthieno[2,3-c]pyridine-7-thione

C8H7NS2 — CID 121405862

IUPAC6-methylthieno[2,3-c]pyridine-7-thione
SMILESCn1ccc2ccsc2c1=S
InChIInChI=1S/C8H7NS2/c1-9-4-2-6-3-5-11-7(6)8(9)10/h2-5H,1H3
InChIKeyAARWNNOEQJKOBQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.97
Rot. Bonds

About 6-methylthieno[2,3-c]pyridine-7-thione

6-methylthieno[2,3-c]pyridine-7-thione (PubChem CID 121405862) has the molecular formula C8H7NS2 and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-methylthieno[2,3-c]pyridine-7-thione.

Molecular Properties

Compound Name6-methylthieno[2,3-c]pyridine-7-thione
PubChem CID121405862
Molecular FormulaC8H7NS2
Molecular Weight181.28 g/mol
Exact Mass181.00
IUPAC Name6-methylthieno[2,3-c]pyridine-7-thione
SMILESCn1ccc2ccsc2c1=S
InChIInChI=1S/C8H7NS2/c1-9-4-2-6-3-5-11-7(6)8(9)10/h2-5H,1H3
InChIKeyAARWNNOEQJKOBQ-UHFFFAOYSA-N
XLogP2.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylthieno[2,3-c]pyridine-7-thione?
The IUPAC name of 6-methylthieno[2,3-c]pyridine-7-thione (CID 121405862) is 6-methylthieno[2,3-c]pyridine-7-thione.
What is the SMILES notation for 6-methylthieno[2,3-c]pyridine-7-thione?
The canonical SMILES for 6-methylthieno[2,3-c]pyridine-7-thione is Cn1ccc2ccsc2c1=S.
What is the InChIKey of 6-methylthieno[2,3-c]pyridine-7-thione?
The InChIKey is AARWNNOEQJKOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS2/c1-9-4-2-6-3-5-11-7(6)8(9)10/h2-5H,1H3.
What are the key properties of 6-methylthieno[2,3-c]pyridine-7-thione?
6-methylthieno[2,3-c]pyridine-7-thione has a molecular weight of 181.28 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylthieno[2,3-c]pyridine-7-thione is sourced from PubChem (CID 121405862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).