4-hydroxy-2-sulfanylbenzonitrile

C7H5NOS — CID 91873860

IUPAC4-hydroxy-2-sulfanylbenzonitrile
SMILESN#Cc1ccc(O)cc1S
InChIInChI=1S/C7H5NOS/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H
InChIKeyDQPOGIUHNFCOLN-UHFFFAOYSA-N
MW151.19 g/mol
LogP1.55
Rot. Bonds

About 4-hydroxy-2-sulfanylbenzonitrile

4-hydroxy-2-sulfanylbenzonitrile (PubChem CID 91873860) has the molecular formula C7H5NOS and a molecular weight of 151.19 g/mol. Its IUPAC name is 4-hydroxy-2-sulfanylbenzonitrile.

Molecular Properties

Compound Name4-hydroxy-2-sulfanylbenzonitrile
PubChem CID91873860
Molecular FormulaC7H5NOS
Molecular Weight151.19 g/mol
Exact Mass151.01
IUPAC Name4-hydroxy-2-sulfanylbenzonitrile
SMILESN#Cc1ccc(O)cc1S
InChIInChI=1S/C7H5NOS/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H
InChIKeyDQPOGIUHNFCOLN-UHFFFAOYSA-N
XLogP1.55
TPSA44.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-sulfanylbenzonitrile?
The IUPAC name of 4-hydroxy-2-sulfanylbenzonitrile (CID 91873860) is 4-hydroxy-2-sulfanylbenzonitrile.
What is the SMILES notation for 4-hydroxy-2-sulfanylbenzonitrile?
The canonical SMILES for 4-hydroxy-2-sulfanylbenzonitrile is N#Cc1ccc(O)cc1S.
What is the InChIKey of 4-hydroxy-2-sulfanylbenzonitrile?
The InChIKey is DQPOGIUHNFCOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H.
What are the key properties of 4-hydroxy-2-sulfanylbenzonitrile?
4-hydroxy-2-sulfanylbenzonitrile has a molecular weight of 151.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-sulfanylbenzonitrile is sourced from PubChem (CID 91873860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).