N-(tert-Butoxycarbonyl)-2-aminoethanethiol

C₇H₁₅NO₂SCAS 67385-09-5177.26 g/mol

Open in Covalent MOL file

Carbamate Thiol

Properties

Molecular formula: C₇H₁₅NO₂S
Molar mass: 177.26 g/mol
Exact mass: 177.0823 Da
logP: 1.44Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

67385-09-5

SMILES

CC(C)(C)OC(=O)NCCS

InChIKey

GSJJCZSHYJNRPN-UHFFFAOYSA-N

InChI

InChI=1S/C7H15NO2S/c1-7(2,3)10-6(9)8-4-5-11/h11H,4-5H2,1-3H3,(H,8,9)

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Names and synonyms

1 names

2-(Boc-amino)ethanethiol

Work with N-(tert-Butoxycarbonyl)-2-aminoethanethiol

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

1,7-Bis-boc-1,4,7-triazaheptane117499-16-867 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-163 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-263 % similar tert-Butyl N-(2-bromoethyl)carbamate39684-80-563 % similar (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-459 % similar 3-(Boc-amino)-1-propanol58885-58-859 % similar tert-Butyl N-(3-bromopropyl)carbamate83948-53-259 % similar 1-(2-N-Boc-aminoethyl)piperazine140447-78-557 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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