AG007X2X

105107-84-4 | cis-4-Phenylthio-L-proline hydrochloride

AG007X2X

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CAS Number	105107-84-4
Catalog Number	AG007X2X(AGN-PC-0NVZM7)
Chemical Name	cis-4-Phenylthio-L-proline hydrochloride
IUPAC Name	(2S,4S)-4-phenylsulfanylpyrrolidine-2-carboxylic acid;hydrochloride
InChI	InChI=1S/C11H13NO2S.ClH/c13-11(14)10-6-9(7-12-10)15-8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10-;/m0./s1
InChI Key	XXNAGGDFBCTLQA-IYPAPVHQSA-N
MDL Number	MFCD11109939
Molecular Formula	C11H14ClNO2S
Molecular Weight	259.7524
SMILES	O=C(O)[C@H]1NC[C@@H](SC2=CC=CC=C2)C1.[H]Cl
Synonyms	Cis-4-Phenylthio-L-proline hydrochloride, 105107-84-4, Cis-4-phenylthio-L-proline, (4S)-4-(Phenylthio)-L-proline Hydrochloride, C11H14ClNO2S, (2S,4S)-4-(phenylthio)pyrrolidine-2-carboxylic acid hydrochloride, AK-50651, KS-00000K8V, 1180AA, MFCD11109939, AKOS016003348, AC-2144, CIS-4-PHENYLTHIO-L-PROLINE HCL, Cis-4-Phenylthio-L-prolinehydrochloride, AN-14267, DS-15496, AX8030045, cis-4-(Phenylthio)-L-proline Hydrochloride, ST24046344, 107P844, Q-101026, (2S,4S)-4-(phenylsulfanyl)-L-proline hydrochloride, (2S,4S)-4-phenylsulfanylpyrrolidine-2-carboxylic acid hydrochloride,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	259.043g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	259.748g/mol
Monoisotopic Mass	259.043g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

Lot Number