2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine

C9H13NS2 — CID 70367304

IUPAC2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine
SMILESCSC1=NC=C2SC(C)CC2C1
InChIInChI=1S/C9H13NS2/c1-6-3-7-4-9(11-2)10-5-8(7)12-6/h5-7H,3-4H2,1-2H3
InChIKeyNCRRHYXFOSAHFT-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.13
Rot. Bonds

About 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine

2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine (PubChem CID 70367304) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine
PubChem CID70367304
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine
SMILESCSC1=NC=C2SC(C)CC2C1
InChIInChI=1S/C9H13NS2/c1-6-3-7-4-9(11-2)10-5-8(7)12-6/h5-7H,3-4H2,1-2H3
InChIKeyNCRRHYXFOSAHFT-UHFFFAOYSA-N
XLogP3.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydrothieno[2,3-c]pyridine
CID 66662834
Tetrahydropyrido(b)thiophene
CID 129786507
3-Methyl-2,3,7,7a-tetrahydrothieno[3,2-b]pyridine
CID 143063122

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine (CID 70367304) is 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine is CSC1=NC=C2SC(C)CC2C1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is NCRRHYXFOSAHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-6-3-7-4-9(11-2)10-5-8(7)12-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine?
2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 199.34 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-2,3,3a,4-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 70367304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).