ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine

C14H15NS — CID 145072070

IUPACethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
SMILESCC.Cc1ccc2sc3ccccc3c2n1
InChIInChI=1S/C12H9NS.C2H6/c1-8-6-7-11-12(13-8)9-4-2-3-5-10(9)14-11;1-2/h2-7H,1H3;1-2H3
InChIKeyMQIDUCRAGPEDQJ-UHFFFAOYSA-N
MW229.35 g/mol
LogP4.78
Rot. Bonds

About ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine

ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine (PubChem CID 145072070) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Nameethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
PubChem CID145072070
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Nameethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
SMILESCC.Cc1ccc2sc3ccccc3c2n1
InChIInChI=1S/C12H9NS.C2H6/c1-8-6-7-11-12(13-8)9-4-2-3-5-10(9)14-11;1-2/h2-7H,1H3;1-2H3
InChIKeyMQIDUCRAGPEDQJ-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
CID 172684607
2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 69206815
bis(dibenzothiophene);ethane
CID 143921746
[1]benzothiolo[3,2-b]pyridine
CID 174218515
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
iridium(3+);pentakis(2-methylbenzo[e][1,3]benzothiazole)
CID 162205439
iridium(3+);tris(2-methylbenzo[e][1,3]benzothiazole)
CID 159400609
2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine
CID 138496173
2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 118245250
2-iodo-[1]benzothiolo[3,2-d]pyrimidine
CID 135291643
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine (CID 145072070) is ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine is CC.Cc1ccc2sc3ccccc3c2n1.
What is the InChIKey of ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is MQIDUCRAGPEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS.C2H6/c1-8-6-7-11-12(13-8)9-4-2-3-5-10(9)14-11;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine?
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 229.35 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 145072070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).