4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine

C13H11NS — CID 129292222

IUPAC4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine
SMILESCc1cccc2c1sc1c(C)cncc12
InChIInChI=1S/C13H11NS/c1-8-4-3-5-10-11-7-14-6-9(2)13(11)15-12(8)10/h3-7H,1-2H3
InChIKeyWXOXOGFOCGSXHR-UHFFFAOYSA-N
MW213.31 g/mol
LogP4.07
Rot. Bonds

About 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine

4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine (PubChem CID 129292222) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine
PubChem CID129292222
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine
SMILESCc1cccc2c1sc1c(C)cncc12
InChIInChI=1S/C13H11NS/c1-8-4-3-5-10-11-7-14-6-9(2)13(11)15-12(8)10/h3-7H,1-2H3
InChIKeyWXOXOGFOCGSXHR-UHFFFAOYSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine (CID 129292222) is 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine is Cc1cccc2c1sc1c(C)cncc12.
What is the InChIKey of 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is WXOXOGFOCGSXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-8-4-3-5-10-11-7-14-6-9(2)13(11)15-12(8)10/h3-7H,1-2H3.
What are the key properties of 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine?
4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 213.31 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 129292222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).