N-Sulfinylbenzenamine

C₆H₅NOSCAS 1122-83-4139.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₅NOS
Molar mass: 139.17 g/mol
Exact mass: 139.0092 Da
Boiling point: 200 °C
logP: 1.71Crippen estimate
Polar surface area: 29.4 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

1122-83-4

SMILES

O=S=Nc1ccccc1

InChIKey

FIOJWGRGPONADF-UHFFFAOYSA-N

InChI

InChI=1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names

Benzenamine, N-sulfinyl-
Aniline, N-sulfinyl-
Thionyl imide, phenyl-
NSC 40228
Sulfurous imide, phenyl-
Thionylaniline
N-Sulfinylaniline
Phenylsulfinylamine
Phenylthionylamine
Sulfinylphenylamine
N-Thionylaniline
(Sulfinylamino)benzene

Work with N-Sulfinylbenzenamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Nitrosobenzene586-96-943 % similar Azobenzene103-33-343 % similar Phenyl isocyanate103-71-938 % similar Diphenylcarbodiimide622-16-238 % similar Formanilide103-70-833 % similar Phenyl isothiocyanate103-72-033 % similar N-Benzylideneaniline538-51-233 % similar Azidobenzene622-37-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Isothiocyanatomethyl)furan4650-60-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook