tert-Butanesulfinamide

C₄H₁₁NOSCAS 146374-27-8121.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₁NOS
Molar mass: 121.20 g/mol
Exact mass: 121.0561 Da
Melting point: 98–100 °C
logP: 0.41Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed42.9% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation42.9% of notifiers
H336 May cause drowsiness or dizziness42.9% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

146374-27-8

SMILES

CC(C)(C)S(N)=O

InChIKey

CESUXLKAADQNTB-UHFFFAOYSA-N

InChI

InChI=1S/C4H11NOS/c1-4(2,3)7(5)6/h5H2,1-3H3

Weigh it out

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

Names and synonyms

6 names

2-Propanesulfinamide, 2-methyl-
2-Methyl-2-propanesulfinamide
tert-Butylsulfinamide
1,1-Dimethylethylsulfinamide
(±)-tert-Butylsulfinamide
2-Methylpropan-2-sulfinamide

Reactions

(RS)-(+)-2-METHYL-2-PROPANESULFINAMIDE (tert-Butanesulfinamide)product

Work with tert-Butanesulfinamide

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-2-Methylpropane-2-sulfinamide196929-78-9Defined stereoisomer (S)-(-)-2-Methyl-2-propanesulfinamide343338-28-3Defined stereoisomer

Similar compounds

(R)-(+)-t-Butyl-t-butane thiosulfinate67734-35-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia