1-cyano-2-(sulfinoamino)benzene

C7H6N2O2S — CID 68768484

IUPAC1-cyano-2-(sulfinoamino)benzene
SMILESN#Cc1ccccc1NS(=O)O
InChIInChI=1S/C7H6N2O2S/c8-5-6-3-1-2-4-7(6)9-12(10)11/h1-4,9H,(H,10,11)
InChIKeySVDBLNNBHXIALC-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.11
Rot. Bonds2

About 1-cyano-2-(sulfinoamino)benzene

1-cyano-2-(sulfinoamino)benzene (PubChem CID 68768484) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-cyano-2-(sulfinoamino)benzene.

Molecular Properties

Compound Name1-cyano-2-(sulfinoamino)benzene
PubChem CID68768484
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name1-cyano-2-(sulfinoamino)benzene
SMILESN#Cc1ccccc1NS(=O)O
InChIInChI=1S/C7H6N2O2S/c8-5-6-3-1-2-4-7(6)9-12(10)11/h1-4,9H,(H,10,11)
InChIKeySVDBLNNBHXIALC-UHFFFAOYSA-N
XLogP1.11
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[(2-cyanophenyl)diazenyl]-2-(sulfinoamino)benzene
CID 156544187
(2-cyanophenyl)urea
CID 13155570
CID 160957814
CID 160957814
N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
(2-cyanoanilino) acetate
CID 87886344
2-(benzenesulfinyl)-N-(2-cyanophenyl)propanamide
CID 64690239
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
1-(2-cyanophenyl)-3-(2-iodophenyl)urea
CID 108868891
2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(sulfinoamino)benzene?
The IUPAC name of 1-cyano-2-(sulfinoamino)benzene (CID 68768484) is 1-cyano-2-(sulfinoamino)benzene.
What is the SMILES notation for 1-cyano-2-(sulfinoamino)benzene?
The canonical SMILES for 1-cyano-2-(sulfinoamino)benzene is N#Cc1ccccc1NS(=O)O.
What is the InChIKey of 1-cyano-2-(sulfinoamino)benzene?
The InChIKey is SVDBLNNBHXIALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c8-5-6-3-1-2-4-7(6)9-12(10)11/h1-4,9H,(H,10,11).
What are the key properties of 1-cyano-2-(sulfinoamino)benzene?
1-cyano-2-(sulfinoamino)benzene has a molecular weight of 182.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(sulfinoamino)benzene is sourced from PubChem (CID 68768484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).