2-Methyl-3-aminopropane-2-thiol hydrochloride

C₄H₁₂ClNSCAS 32047-53-3141.66 g/mol

Open in Covalent MOL file

Primary amine Thiol

Properties

Molecular formula: C₄H₁₂ClNS
Molar mass: 141.66 g/mol
Exact mass: 141.0379 Da
Melting point: 202–203 °C
logP: 1.08Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 016-097-00-8), via PubChem.

Precautionary statements

P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

32047-53-3

SMILES

CC(C)(S)CN.Cl

InChIKey

YZCAFAKJYGDMSY-UHFFFAOYSA-N

InChI

InChI=1S/C4H11NS.ClH/c1-4(2,6)3-5;/h6H,3,5H2,1-2H3;1H

Weigh it out

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

Names and synonyms

4 names

2-Propanethiol, 1-amino-2-methyl-, hydrochloride (1:1)
2-Propanethiol, 1-amino-2-methyl-, hydrochloride
1-Amino-2-methyl-2-propanethiol hydrochloride
2-Mercapto-2-methyl-1-propylamine hydrochloride

Work with 2-Methyl-3-aminopropane-2-thiol hydrochloride

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

2,2-Difluoropropylamine hydrochloride868241-48-944 % similar 2-Methyl-2-butanethiol1679-09-039 % similar tert-OCTYL MERCAPTAN31511-35-038 % similar 2,2,2-Trifluoroethylamine hydrochloride373-88-638 % similar Neopentylamine5813-64-936 % similar 2,2-Dimethyl-1,3-propanediamine7328-91-836 % similar 2,2-Diphenylpropylamine hydrochloride40691-66-535 % similar 2-Methylpropylenediamine811-93-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Dimethylamino)ethanethiol hydrochloride13242-44-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook