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

C17H11NS — CID 69206815

IUPAC2-phenyl-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2ccc3sc4ccccc4c3n2)cc1
InChIInChI=1S/C17H11NS/c1-2-6-12(7-3-1)14-10-11-16-17(18-14)13-8-4-5-9-15(13)19-16/h1-11H
InChIKeyBDSJSZACNRJFNI-UHFFFAOYSA-N
MW261.35 g/mol
LogP5.12
Rot. Bonds1

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

2-phenyl-[1]benzothiolo[3,2-b]pyridine (PubChem CID 69206815) has the molecular formula C17H11NS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-phenyl-[1]benzothiolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-phenyl-[1]benzothiolo[3,2-b]pyridine
PubChem CID69206815
Molecular FormulaC17H11NS
Molecular Weight261.35 g/mol
Exact Mass261.06
IUPAC Name2-phenyl-[1]benzothiolo[3,2-b]pyridine
SMILESc1ccc(-c2ccc3sc4ccccc4c3n2)cc1
InChIInChI=1S/C17H11NS/c1-2-6-12(7-3-1)14-10-11-16-17(18-14)13-8-4-5-9-15(13)19-16/h1-11H
InChIKeyBDSJSZACNRJFNI-UHFFFAOYSA-N
XLogP5.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.35
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90050126
2-(7-dibenzothiophen-2-ylphenanthren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134410357
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
2-[2,5-di(dibenzothiophen-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 90050133
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolin-3-yl]-[1]benzothiolo[3,2-b]pyridine
CID 168745908
4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 90196949
2-phenyl-9-[10-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-15-yl)anthracen-9-yl]-1,10-phenanthroline
CID 138739059
2-(4-dibenzothiophen-2-ylphenyl)-4,6-diphenylpyrimidine
CID 130210857
3-(4-dibenzothiophen-2-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyrazine
CID 58410089
iridium;2-phenylbenzo[h]quinoline
CID 175438986
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1]benzothiolo[3,2-b]pyridine?
The IUPAC name of 2-phenyl-[1]benzothiolo[3,2-b]pyridine (CID 69206815) is 2-phenyl-[1]benzothiolo[3,2-b]pyridine.
What is the SMILES notation for 2-phenyl-[1]benzothiolo[3,2-b]pyridine?
The canonical SMILES for 2-phenyl-[1]benzothiolo[3,2-b]pyridine is c1ccc(-c2ccc3sc4ccccc4c3n2)cc1.
What is the InChIKey of 2-phenyl-[1]benzothiolo[3,2-b]pyridine?
The InChIKey is BDSJSZACNRJFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS/c1-2-6-12(7-3-1)14-10-11-16-17(18-14)13-8-4-5-9-15(13)19-16/h1-11H.
What are the key properties of 2-phenyl-[1]benzothiolo[3,2-b]pyridine?
2-phenyl-[1]benzothiolo[3,2-b]pyridine has a molecular weight of 261.35 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1]benzothiolo[3,2-b]pyridine is sourced from PubChem (CID 69206815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).