AG000KTU

1236007-42-3 | 1-​Pyrrolidinecarboxyli​c acid, 3-​mercapto-​, 1,​1-​dimethylethyl ester, (3R)​-

AG000KTU

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CAS Number	1236007-42-3
Catalog Number	AG000KTU(AGN-PC-0WAG7J)
Chemical Name	1-​Pyrrolidinecarboxyli​c acid, 3-​mercapto-​, 1,​1-​dimethylethyl ester, (3R)​-
IUPAC Name	tert-butyl (3R)-3-sulfanylpyrrolidine-1-carboxylate
InChI	InChI=1S/C9H17NO2S/c1-9(2,3)12-8(11)10-5-4-7(13)6-10/h7,13H,4-6H2,1-3H3/t7-/m1/s1
InChI Key	QZVCJLUVFPPQLX-SSDOTTSWSA-N
MDL Number	MFCD16036705
Molecular Formula	C9H17NO2S
Molecular Weight	203.3018
SMILES	C(=O)(OC(C)(C)C)N1CC[C@H](C1)S
Synonyms	1236007-42-3, (R)-TERT-BUTYL 3-MERCAPTOPYRROLIDINE-1-CARBOXYLATE, (R)-3-Mercapto-pyrrolidine-1-carboxylic acid tert-butyl ester, tert-Butyl (3R)-3-sulfanylpyrrolidine-1-carboxylate, (R)-1-Boc-3-Mercapto-pyrrolidine, AK159599, SCHEMBL1334464, DTXSID80733581, QZVCJLUVFPPQLX-SSDOTTSWSA-N, 1-Boc-(R)-3-Mercaptopyrrolidine, MFCD16036705, ZINC39601461, AKOS017342969, AM91218, DS-9673, FCH3640166, SB15824, AJ-100403, AX8292889, CS-0079109, ST24035658, tert-Butyl (R)-3-mercaptopyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 3-mercapto-, 1,1-dimethylethyl ester, (3R)-, (R)-tert-Butyl 3-mercaptopyrrolidine-1-carboxylate, 95% - 1G 1g,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	203.098g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	203.3g/mol
Monoisotopic Mass	203.098g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

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