AG0039LI

214834-18-1 | N-BOC-Piperidine-4-thiocarboxamide

AG0039LI

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CAS Number	214834-18-1
Catalog Number	AG0039LI(AGN-PC-0KK78W)
Chemical Name	N-BOC-Piperidine-4-thiocarboxamide
IUPAC Name	tert-butyl 4-carbamothioylpiperidine-1-carboxylate
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
MDL Number	MFCD02180954
Molecular Formula	C11H20N2O2S
Molecular Weight	244.3537
SMILES	C(N)(=S)C1CCN(CC1)C(=O)OC(C)(C)C
Synonyms	214834-18-1, tert-butyl 4-carbamothioylpiperidine-1-carboxylate, 1-tert-Butoxycarbonylpiperidine-4-carbothioamide, tert-Butyl 4-(Aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate, 1-Boc-4-thiocarbamoylpiperidine, TERT-BUTYL 4-THIOCARBAMOYLPIPERIDINE-1-CARBOXYLATE, Piperidine-4-thiocarboxamide, N1-BOC protected, tert-butyl 4-Thiocarbamoyl-piperidine-1-carboxylate, tert-butyl 4-(aminocarbonothioyl)piperidine-1-carboxylate, MFCD02180954, tert-butyl 4-(aminothioxomethyl)piperidinecarboxylate, PubChem19892, AC1MC3SJ, SCHEMBL163922, CTK7G2782, DTXSID40370855, SCGQNJHAAYUQOO-UHFFFAOYSA-N, ZINC160577, ALBB-031232, BCP04448, KS-00000H4G, N-BOC-Piperidine-4-thiocarboxamide, 1-Boc-4-aminothiocarbonyl piperidine, ANW-49483, SBB056044, 1-N-Boc-4-(thiocarbamoyl)piperidine, AKOS009157764, AB11458, ACN-051263, CB-3493, CS-W004912, DS-0596, MCULE-4169209493, RP05978, RTR-010087, 1-t-butyloxycarbonyl-isonipecot-thioamide, 10N-311S, AJ-15614, AK-27344, AN-29714, BR-27344, CJ-01933, EN003035, SC-14267, AB0003535, DB-004320, ST2413915, TR-010087, 1-tert-butoxycarbonyl-4-piperidine thioamide, 4CH-004512, FT-0649574, ST50950059, X4353, M-1658, 1-tert-butoxycarbonylpiperidine-4-thiocarboxamide, 1-(tert-Butoxycarbonyl)-4-carbamothioylpiperidine, 834B181, A815410, tert-Butyl-4-carbamothioylpiperidine-1-carboxylate, 1-(tert-Butoxycarbonyl)piperidine-4-thiocarboxamide, I09-1724, W-206635, 4-carbamothioyl-1-piperidinecarboxylic acid tert-butyl ester, 4-thiocarbamoylpiperidine-1-carboxylic acid tert-butyl ester, TERT-BUTYL 4-(AMINOCARBOTHIOYL)TETRAHYDROPYRIDINE-, 1,1-dimethylethyl 4-(aminocarbonothioyl)-1-piperidinecarboxylate, 1,1-Dimethylethyl 4-(aminocarbonothioyl)piperidine-1-carboxylate, 4-THIOCARBAMOYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, tert-butyl 4-(aminocarbothioyl)tetrahydropyridine-1-(2H)-carboxylate, tert-butyl-4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate, tert-Butyl4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate, 1-Piperidinecarboxylicacid, 4-(aminothioxomethyl)-, 1,1-dimethylethyl ester, 1-Piperidinecarboxylic acid, 4-(aminothioxomethyl)-, 1,1-dimethylethyl ester, tert-Butyl 4-(aminocarbothioyl)tetrahydropyridine-1(2H)-carboxylate, AldrichCPR, C11H20N2O2S, N-boc-4-aminothiocarbonylpiperidine, ZINC00160577, CID2735648, tert-butyl 4-thiocarbamoylpiperidine-1-carboxylate, 95% - 1G 1g, Tert-Butyl-4-(Aminocarbothioyl) tetrahydropyridine-1(2H)-Carboxylate,

Complexity	278
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.125g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	244.353g/mol
Monoisotopic Mass	244.125g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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