2-Iminothiolane hydrochloride

C₄H₈ClNSCAS 4781-83-3137.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈ClNS
Molar mass: 137.63 g/mol
Exact mass: 137.0066 Da
Melting point: 190–195 °C
logP: 1.91Crippen estimate
Polar surface area: 23.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

4781-83-3

SMILES

Cl.N=C1CCCS1

InChIKey

ATGUDZODTABURZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H7NS.ClH/c5-4-2-1-3-6-4;/h5H,1-3H2;1H

Weigh it out

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

Names and synonyms

3 names

2(3H)-Thiophenimine, dihydro-, hydrochloride (1:1)
2(3H)-Thiophenimine, dihydro-, hydrochloride
Traut's reagent

Work with 2-Iminothiolane 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

Dimethyl adipimidate dihydrochloride14620-72-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook