Benzenamine, N-sulfinyl-

C6H5NOS — CID 70739

IUPAC(sulfinylamino)benzene
SMILESC1=CC=C(C=C1)N=S=O
InChIInChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H
InChIKeyFIOJWGRGPONADF-UHFFFAOYSA-N
MW139.18 g/mol
LogP2.50
Rot. Bonds1

About Benzenamine, N-sulfinyl-

Benzenamine, N-sulfinyl- (PubChem CID 70739) has the molecular formula C6H5NOS and a molecular weight of 139.18 g/mol. Its IUPAC name is (sulfinylamino)benzene.

Molecular Properties

Compound NameBenzenamine, N-sulfinyl-
PubChem CID70739
Molecular FormulaC6H5NOS
Molecular Weight139.18 g/mol
Exact Mass139.01
IUPAC Name(sulfinylamino)benzene
SMILESC1=CC=C(C=C1)N=S=O
InChIInChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H
InChIKeyFIOJWGRGPONADF-UHFFFAOYSA-N
XLogP2.50
TPSA30.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity125

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aniline
CID 6115
P-Phenylenediamine
CID 7814
Nitrobenzene
CID 7416
Phenyl Isothiocyanate
CID 7673
N-Phenylhydroxylamine
CID 7518
4-Fluoroaniline
CID 9731
Phenyl isocyanate
CID 7672
Benzenamine hydrochloride (1:1)
CID 8870
Nitrosobenzene
CID 11473
1,4-Dinitrosobenzene
CID 66921
2-Fluoroaniline
CID 9584
4-Iodoaniline
CID 10893

Frequently Asked Questions

What is the IUPAC name of Benzenamine, N-sulfinyl-?
The IUPAC name of Benzenamine, N-sulfinyl- (CID 70739) is (sulfinylamino)benzene.
What is the SMILES notation for Benzenamine, N-sulfinyl-?
The canonical SMILES for Benzenamine, N-sulfinyl- is C1=CC=C(C=C1)N=S=O.
What is the InChIKey of Benzenamine, N-sulfinyl-?
The InChIKey is FIOJWGRGPONADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H.
What are the key properties of Benzenamine, N-sulfinyl-?
Benzenamine, N-sulfinyl- has a molecular weight of 139.18 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Benzenamine, N-sulfinyl- is sourced from PubChem (CID 70739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).