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

C8H6BrNS2 — CID 139203315

IUPAC2-bromo-6-methylthieno[2,3-c]pyridine-7-thione
SMILESCn1ccc2cc(Br)sc2c1=S
InChIInChI=1S/C8H6BrNS2/c1-10-3-2-5-4-6(9)12-7(5)8(10)11/h2-4H,1H3
InChIKeyXTJSSCCCEYCAJC-UHFFFAOYSA-N
MW260.18 g/mol
LogP3.73
Rot. Bonds

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

2-bromo-6-methylthieno[2,3-c]pyridine-7-thione (PubChem CID 139203315) has the molecular formula C8H6BrNS2 and a molecular weight of 260.18 g/mol. Its IUPAC name is 2-bromo-6-methylthieno[2,3-c]pyridine-7-thione.

Molecular Properties

Compound Name2-bromo-6-methylthieno[2,3-c]pyridine-7-thione
PubChem CID139203315
Molecular FormulaC8H6BrNS2
Molecular Weight260.18 g/mol
Exact Mass258.91
IUPAC Name2-bromo-6-methylthieno[2,3-c]pyridine-7-thione
SMILESCn1ccc2cc(Br)sc2c1=S
InChIInChI=1S/C8H6BrNS2/c1-10-3-2-5-4-6(9)12-7(5)8(10)11/h2-4H,1H3
InChIKeyXTJSSCCCEYCAJC-UHFFFAOYSA-N
XLogP3.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.73
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 2-bromo-6-methylthieno[2,3-c]pyridine-7-thione?
The IUPAC name of 2-bromo-6-methylthieno[2,3-c]pyridine-7-thione (CID 139203315) is 2-bromo-6-methylthieno[2,3-c]pyridine-7-thione.
What is the SMILES notation for 2-bromo-6-methylthieno[2,3-c]pyridine-7-thione?
The canonical SMILES for 2-bromo-6-methylthieno[2,3-c]pyridine-7-thione is Cn1ccc2cc(Br)sc2c1=S.
What is the InChIKey of 2-bromo-6-methylthieno[2,3-c]pyridine-7-thione?
The InChIKey is XTJSSCCCEYCAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNS2/c1-10-3-2-5-4-6(9)12-7(5)8(10)11/h2-4H,1H3.
What are the key properties of 2-bromo-6-methylthieno[2,3-c]pyridine-7-thione?
2-bromo-6-methylthieno[2,3-c]pyridine-7-thione has a molecular weight of 260.18 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylthieno[2,3-c]pyridine-7-thione is sourced from PubChem (CID 139203315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).