tert-Butyl 4-carbamothioylpiperidine-1-carboxylate

C11H20N2O2SCAS 214834-18-1244.35 g/mol

OONSNH2
Carbamate

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
Acute Toxic (GHS06)Irritant (GHS07)Environmental Hazard (GHS09)

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
214834-18-1
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N
InChIKey
SCGQNJHAAYUQOO-UHFFFAOYSA-N
InChI
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)

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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

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere