2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine

C13H11NS — CID 172684607

IUPAC2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
SMILESCc1cc2sc3ccccc3c2nc1C
InChIInChI=1S/C13H11NS/c1-8-7-12-13(14-9(8)2)10-5-3-4-6-11(10)15-12/h3-7H,1-2H3
InChIKeyAWDQEUVUNQPLNN-UHFFFAOYSA-N
MW213.30 g/mol
LogP4.07
Rot. Bonds

About 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine

2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine (PubChem CID 172684607) has the molecular formula C13H11NS and a molecular weight of 213.30 g/mol. Its IUPAC name is 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
PubChem CID172684607
Molecular FormulaC13H11NS
Molecular Weight213.30 g/mol
Exact Mass213.06
IUPAC Name2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
SMILESCc1cc2sc3ccccc3c2nc1C
InChIInChI=1S/C13H11NS/c1-8-7-12-13(14-9(8)2)10-5-3-4-6-11(10)15-12/h3-7H,1-2H3
InChIKeyAWDQEUVUNQPLNN-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 ≤ 500213.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine
CID 177086881
2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118245250
bis(dibenzothiophene);ethane
CID 143921746
2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine
CID 138496173
1-methyldibenzothiophene
CID 23839
2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 69206815
2-iodo-[1]benzothiolo[3,2-d]pyrimidine
CID 135291643
2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 144594588
dibenzothiophene;methane
CID 162233710
3-methoxy-2-methyldibenzothiophene
CID 18739009

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine (CID 172684607) is 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine is Cc1cc2sc3ccccc3c2nc1C.
What is the InChIKey of 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is AWDQEUVUNQPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-8-7-12-13(14-9(8)2)10-5-3-4-6-11(10)15-12/h3-7H,1-2H3.
What are the key properties of 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine?
2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 213.30 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 2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 172684607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).