AG0004FF

101410-18-8 | N-BOC-(S)-Pyrrolidine-2-thiocarboxamide

AG0004FF

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CAS Number	101410-18-8
Catalog Number	AG0004FF(AGN-PC-0OQN2J)
Chemical Name	N-BOC-(S)-Pyrrolidine-2-thiocarboxamide
IUPAC Name	tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate
InChI	InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-6-4-5-7(12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)/t7-/m0/s1
InChI Key	KPAOKCBKJXBXNI-ZETCQYMHSA-N
MDL Number	MFCD06738835
Molecular Formula	C10H18N2O2S
Molecular Weight	230.3271
SMILES	O=C(N1[C@H](C(N)=S)CCC1)OC(C)(C)C
Synonyms	101410-18-8, (S)-tert-Butyl 2-carbamothioylpyrrolidine-1-carboxylate, (S)-2-Thiocarbamoyl-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 2-(aminothioxomethyl)-, 1,1-dimethylethyl ester, (2S)-, tert-butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate, tert-butyl (S)-2-carbamothioylpyrrolidine-1-carboxylate, TERT-BUTYL 2(S)-THIOCARBAMOYLPYRROLIDINE-1-CARBOXYLATE, C10H18N2O2S, KPAOKCBKJXBXNI-ZETCQYMHSA-N, AK-48662, SCHEMBL1118385, (S)-2-THIOCARBAMOYLPYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, CTK3J9760, DTXSID60708313, KS-00000JY9, ANW-47842, MFCD06738835, ZINC14806780, AKOS015911118, AKOS015995210, AB28000, FCH1624871, QC-3080, RP27917, (S)-1-Boc-pyrrolidine-2-carbothioamide, AJ-65375, AS-11355, BC620557, BR-48662, N-BOC-(S)-Pyrrolidine-2-thiocarboxamide, AB0009721, AX8027116, DB-058603, ST2414681, TC-136587, (S)-1-(tert-Butoxycarbonyl)prolinethioamide, AM20070665, CS-0047030, FT-0771901, S-4695, 410T188, J-505121, I14-38617, (2S)-1-(tert-Butyloxycarbonyl)pyrrolidine-2-carbothioamide, (R)-tert-Butyl 2-carbamothioylpyrrolidine-1-carboxylate, 117175-41-4,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	230.109g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	230.326g/mol
Monoisotopic Mass	230.109g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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