3-(sulfanylamino)benzonitrile

C7H6N2S — CID 142255367

IUPAC3-(sulfanylamino)benzonitrile
SMILESN#Cc1cccc(NS)c1
InChIInChI=1S/C7H6N2S/c8-5-6-2-1-3-7(4-6)9-10/h1-4,9-10H
InChIKeyBZFNCVXTTLONMF-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.81
Rot. Bonds1

About 3-(sulfanylamino)benzonitrile

3-(sulfanylamino)benzonitrile (PubChem CID 142255367) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 3-(sulfanylamino)benzonitrile.

Molecular Properties

Compound Name3-(sulfanylamino)benzonitrile
PubChem CID142255367
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name3-(sulfanylamino)benzonitrile
SMILESN#Cc1cccc(NS)c1
InChIInChI=1S/C7H6N2S/c8-5-6-2-1-3-7(4-6)9-10/h1-4,9-10H
InChIKeyBZFNCVXTTLONMF-UHFFFAOYSA-N
XLogP1.81
TPSA35.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(2,2-difluoroethylamino)benzonitrile
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3-[2-(3-cyanophenyl)ethynyl]benzonitrile
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3-(cyclododecylamino)benzonitrile
CID 63422717
N'-(3-cyanophenyl)acetohydrazide
CID 131038876
3-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644811
3-[1-(3-cyanoanilino)ethyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-(sulfanylamino)benzonitrile?
The IUPAC name of 3-(sulfanylamino)benzonitrile (CID 142255367) is 3-(sulfanylamino)benzonitrile.
What is the SMILES notation for 3-(sulfanylamino)benzonitrile?
The canonical SMILES for 3-(sulfanylamino)benzonitrile is N#Cc1cccc(NS)c1.
What is the InChIKey of 3-(sulfanylamino)benzonitrile?
The InChIKey is BZFNCVXTTLONMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c8-5-6-2-1-3-7(4-6)9-10/h1-4,9-10H.
What are the key properties of 3-(sulfanylamino)benzonitrile?
3-(sulfanylamino)benzonitrile has a molecular weight of 150.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfanylamino)benzonitrile is sourced from PubChem (CID 142255367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).