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

C17H11NS — CID 102366954

IUPAC1-phenyl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2nccc3c2sc2ccccc23)cc1
InChIInChI=1S/C17H11NS/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-11H
InChIKeyNFQCNBPKRGUDQP-UHFFFAOYSA-N
MW261.35 g/mol
LogP5.12
Rot. Bonds1

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

1-phenyl-[1]benzothiolo[2,3-c]pyridine (PubChem CID 102366954) has the molecular formula C17H11NS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-phenyl-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-phenyl-[1]benzothiolo[2,3-c]pyridine
PubChem CID102366954
Molecular FormulaC17H11NS
Molecular Weight261.35 g/mol
Exact Mass261.06
IUPAC Name1-phenyl-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc(-c2nccc3c2sc2ccccc23)cc1
InChIInChI=1S/C17H11NS/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-11H
InChIKeyNFQCNBPKRGUDQP-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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-phenyl-[1]benzothiolo[2,3-c]pyridine (CID 102366954) is 1-phenyl-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-phenyl-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-phenyl-[1]benzothiolo[2,3-c]pyridine is c1ccc(-c2nccc3c2sc2ccccc23)cc1.
What is the InChIKey of 1-phenyl-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is NFQCNBPKRGUDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS/c1-2-6-12(7-3-1)16-17-14(10-11-18-16)13-8-4-5-9-15(13)19-17/h1-11H.
What are the key properties of 1-phenyl-[1]benzothiolo[2,3-c]pyridine?
1-phenyl-[1]benzothiolo[2,3-c]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 1-phenyl-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 102366954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).