4-methyl-3a,4-dihydrothieno[3,2-c]pyridine

C8H9NS — CID 126498618

IUPAC4-methyl-3a,4-dihydrothieno[3,2-c]pyridine
SMILESCC1N=CC=C2SC=CC21
InChIInChI=1S/C8H9NS/c1-6-7-3-5-10-8(7)2-4-9-6/h2-7H,1H3
InChIKeyBZYSRCFJENCMCS-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.22
Rot. Bonds

About 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine

4-methyl-3a,4-dihydrothieno[3,2-c]pyridine (PubChem CID 126498618) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-methyl-3a,4-dihydrothieno[3,2-c]pyridine
PubChem CID126498618
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name4-methyl-3a,4-dihydrothieno[3,2-c]pyridine
SMILESCC1N=CC=C2SC=CC21
InChIInChI=1S/C8H9NS/c1-6-7-3-5-10-8(7)2-4-9-6/h2-7H,1H3
InChIKeyBZYSRCFJENCMCS-UHFFFAOYSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine?
The IUPAC name of 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine (CID 126498618) is 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine is CC1N=CC=C2SC=CC21.
What is the InChIKey of 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine?
The InChIKey is BZYSRCFJENCMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-6-7-3-5-10-8(7)2-4-9-6/h2-7H,1H3.
What are the key properties of 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine?
4-methyl-3a,4-dihydrothieno[3,2-c]pyridine has a molecular weight of 151.23 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3a,4-dihydrothieno[3,2-c]pyridine is sourced from PubChem (CID 126498618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).