tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
Properties
- Molecular formula
- C11H20N2O2S
- Molar mass
- 244.35 g/mol
- Exact mass
- 244.1245 Da
- logP
- 1.92Crippen estimate
- Polar surface area
- 55.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed16.7% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
- H302 Harmful if swallowed83.3% of notifiers
- H311 Toxic in contact with skin16.7% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation83.3% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H331 Toxic if inhaled16.7% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects16.7% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
214834-18-1SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=S)NInChIKey
SCGQNJHAAYUQOO-UHFFFAOYSA-NInChI
InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-8(5-7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate
Work with tert-Butyl 4-carbamothioylpiperidine-1-carboxylate
Similar compounds
1-(tert-Butoxycarbonyl)piperidine-4-carboxamide91419-48-669 % similar
tert-Butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate101410-18-863 % similar
4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester206989-61-963 % similar
tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-862 % similar
tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-762 % similar
1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-361 % similar
N-Boc-piperidine-4-carboxylic acid84358-13-461 % similar
4-Thiocarbamoyl-piperazine-1-carboxylic acid tert-butyl ester196811-66-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.