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

C9H13NS2 — CID 70367303

IUPAC2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine
SMILESCSC1CC2=C(C=N1)SC(C)C2
InChIInChI=1S/C9H13NS2/c1-6-3-7-4-9(11-2)10-5-8(7)12-6/h5-6,9H,3-4H2,1-2H3
InChIKeyDLHRZWGHAAZHEU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.93
Rot. Bonds1

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

2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine (PubChem CID 70367303) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine
PubChem CID70367303
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine
SMILESCSC1CC2=C(C=N1)SC(C)C2
InChIInChI=1S/C9H13NS2/c1-6-3-7-4-9(11-2)10-5-8(7)12-6/h5-6,9H,3-4H2,1-2H3
InChIKeyDLHRZWGHAAZHEU-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine (CID 70367303) is 2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine is CSC1CC2=C(C=N1)SC(C)C2.
What is the InChIKey of 2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is DLHRZWGHAAZHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-6-3-7-4-9(11-2)10-5-8(7)12-6/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine?
2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 199.34 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-2,3,4,5-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 70367303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).