2-(Diethylamino)ethanethiol

C₆H₁₅NSCAS 100-38-9133.25 g/mol

Open in Covalent MOL file

Tertiary amine Thiol

Properties

Molecular formula: C₆H₁₅NS
Molar mass: 133.25 g/mol
Exact mass: 133.0925 Da
Density: 0.8751 g/mL (at 20 °C)
Boiling point: 74 °C (at 32 Torr)
logP: 1.26Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

100-38-9

SMILES

CCN(CC)CCS

InChIKey

YBDSNEVSFQMCTL-UHFFFAOYSA-N

InChI

InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

9 names

Ethanethiol, 2-(diethylamino)-
Diethylcysteamine
Diethyl(2-mercaptoethyl)amine
2-(Diethylamino)ethyl mercaptan
N,N-Diethylcysteamine
2-(N,N-Diethylamino)ethanethiol
(2-Mercaptoethyl)diethylamine
NSC 49193
2-(Diethylamino)ethane-1-thiol

Work with 2-(Diethylamino)ethanethiol

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.

(Diethylamino)ethanethiol hydrochloride1942-52-5Salt

Similar compounds

N,N,N′,N′-Tetraethylethylenediamine150-77-659 % similar 1,4-Diethylpiperazine6483-50-750 % similar Triethylamine121-44-847 % similar Diethylaminoethyl chloride100-35-645 % similar N,N-Diethylethylenediamine100-36-745 % similar Diethylethanolamine100-37-845 % similar 1-Ethylpyrrolidine7335-06-045 % similar N-Ethylpiperidine766-09-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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