6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione

C8H9NS2 — CID 155402952

IUPAC6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione
SMILESCN1C=CC2C=CSC2C1=S
InChIInChI=1S/C8H9NS2/c1-9-4-2-6-3-5-11-7(6)8(9)10/h2-7H,1H3
InChIKeyHQKZXBOBPWOQEY-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.02
Rot. Bonds

About 6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione

6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione (PubChem CID 155402952) has the molecular formula C8H9NS2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione.

Molecular Properties

Compound Name6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione
PubChem CID155402952
Molecular FormulaC8H9NS2
Molecular Weight183.30 g/mol
Exact Mass183.02
IUPAC Name6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione
SMILESCN1C=CC2C=CSC2C1=S
InChIInChI=1S/C8H9NS2/c1-9-4-2-6-3-5-11-7(6)8(9)10/h2-7H,1H3
InChIKeyHQKZXBOBPWOQEY-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione?
The IUPAC name of 6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione (CID 155402952) is 6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione.
What is the SMILES notation for 6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione?
The canonical SMILES for 6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione is CN1C=CC2C=CSC2C1=S.
What is the InChIKey of 6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione?
The InChIKey is HQKZXBOBPWOQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS2/c1-9-4-2-6-3-5-11-7(6)8(9)10/h2-7H,1H3.
What are the key properties of 6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione?
6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione has a molecular weight of 183.30 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3a,7a-dihydrothieno[2,3-c]pyridine-7-thione is sourced from PubChem (CID 155402952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).