2-(sulfinylamino)benzonitrile

C7H4N2OS — CID 12595709

IUPAC2-(sulfinylamino)benzonitrile
SMILESN#Cc1ccccc1N=S=O
InChIInChI=1S/C7H4N2OS/c8-5-6-3-1-2-4-7(6)9-11-10/h1-4H
InChIKeyVURRGWWRAQOTQZ-UHFFFAOYSA-N
MW164.19 g/mol
LogP1.59
Rot. Bonds1

About 2-(sulfinylamino)benzonitrile

2-(sulfinylamino)benzonitrile (PubChem CID 12595709) has the molecular formula C7H4N2OS and a molecular weight of 164.19 g/mol. Its IUPAC name is 2-(sulfinylamino)benzonitrile.

Molecular Properties

Compound Name2-(sulfinylamino)benzonitrile
PubChem CID12595709
Molecular FormulaC7H4N2OS
Molecular Weight164.19 g/mol
Exact Mass164.00
IUPAC Name2-(sulfinylamino)benzonitrile
SMILESN#Cc1ccccc1N=S=O
InChIInChI=1S/C7H4N2OS/c8-5-6-3-1-2-4-7(6)9-11-10/h1-4H
InChIKeyVURRGWWRAQOTQZ-UHFFFAOYSA-N
XLogP1.59
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(sulfinylamino)benzonitrile?
The IUPAC name of 2-(sulfinylamino)benzonitrile (CID 12595709) is 2-(sulfinylamino)benzonitrile.
What is the SMILES notation for 2-(sulfinylamino)benzonitrile?
The canonical SMILES for 2-(sulfinylamino)benzonitrile is N#Cc1ccccc1N=S=O.
What is the InChIKey of 2-(sulfinylamino)benzonitrile?
The InChIKey is VURRGWWRAQOTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2OS/c8-5-6-3-1-2-4-7(6)9-11-10/h1-4H.
What are the key properties of 2-(sulfinylamino)benzonitrile?
2-(sulfinylamino)benzonitrile has a molecular weight of 164.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinylamino)benzonitrile is sourced from PubChem (CID 12595709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).