1-Boc-piperidine-4-carbothioamide - CAS 214834-18-1

Catalog:	BB016901
Product Name:	1-Boc-piperidine-4-carbothioamide
CAS:	214834-18-1
Synonyms:	4-carbamothioyl-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-carbamothioylpiperidine-1-carboxylate
Description:	1-Boc-piperidine-4-carbothioamide (CAS# 214834-18-1) is a useful research chemical.
Molecular Weight:	244.35
Molecular Formula:	C11H20N2O2S
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(CC1)C(=S)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)
InChI Key:	SCGQNJHAAYUQOO-UHFFFAOYSA-N
Boiling Point:	356 °C at 760 mmHg
Density:	1.158 g/cm³
MDL:	MFCD02180954
LogP:	2.55780

Publication Number	Title	Priority Date
CN-112812110-A	Novel benzo heterocyclic ether derivative, preparation method thereof and application thereof in hypoglycemic drugs	20210118
CN-113248488-A	Novel heterocyclic amide piperidine derivative, preparation method thereof and application thereof in hypoglycemic drugs	20210118
CN-111662280-A	Piperidinyl tetrahydrobenzothiazole oxime ether derivative and application thereof	20200717
CN-113185509-A	Compound containing indole ring structure, preparation method and application thereof, and bactericide	20200417
WO-2021110997-A1	N-(3-(5-(pyrimidin-4-yl)thiazol-4-yl)phenyl)sulfonamide compounds and their uses as braf inhibitors	20191205

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Related Functional Groups

Piperidines

[13617-02-2]
3-Bromo-1-methylpiperidine Hydrobromide
[874800-64-3]
1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[1624301-71-8]
tert-Butyl 3,3-bis(hydroxymethyl)piperidine-1-carboxylate
[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate
[1189664-19-4]
Ethyl 1-(3-chlorobenzyl)piperidine-3-carboxylate hydrochloride
[349625-89-4]
Ethyl 1-(methylsulfonyl)piperidine-3-carboxylate

GHS Hazard Statement:	H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	278
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.12454906
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.12454906
Rotatable Bond Count:	3
Topological Polar Surface Area:	87.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1