Sodium ethanethiolate

C₂H₅NaSCAS 811-51-884.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₅NaS
Molar mass: 84.11 g/mol
Exact mass: 84.0010 Da
logP: -2.44Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage42.6% of notifiers

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

811-51-8

SMILES

CC[S-].[Na+]

InChIKey

QJDUDPQVDAASMV-UHFFFAOYSA-M

InChI

InChI=1S/C2H6S.Na/c1-2-3;/h3H,2H2,1H3;/q;+1/p-1

Weigh it out

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

Work with Sodium ethanethiolate

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.

Ethanethiol75-08-1Parent compound

Similar compounds

Sodium ethoxide141-52-633 % similar Sodium tetraethylborate15523-24-733 % similar Sodium methanethiolate5188-07-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook