(R)-(+)-t-Butyl-t-butane thiosulfinate

C₈H₁₈OS₂CAS 67734-35-4194.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₈OS₂
Molar mass: 194.35 g/mol
Exact mass: 194.0799 Da
logP: 2.98Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

67734-35-4

SMILES

CC(C)(C)S[S@@](=O)C(C)(C)C

InChIKey

ZFKIFCIQBZYNIQ-LLVKDONJSA-N

InChI

InChI=1S/C8H18OS2/c1-7(2,3)10-11(9)8(4,5)6/h1-6H3/t11-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(R)-tert-Butanethiosulfinate

Work with (R)-(+)-t-Butyl-t-butane thiosulfinate

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

Similar compounds

tert-Butanesulfinamide146374-27-832 % similar (R)-2-Methylpropane-2-sulfinamide196929-78-932 % similar (S)-(-)-2-Methyl-2-propanesulfinamide343338-28-332 % similar

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

Same formula

3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol54957-02-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook