AG003RCU

7314-32-1 | (S)-2-Amino-4-(methylsulfonyl)butanoic acid

AG003RCU

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CAS Number	7314-32-1
Catalog Number	AG003RCU(AGN-PC-0OH89G)
Chemical Name	(S)-2-Amino-4-(methylsulfonyl)butanoic acid
EC Number	230-774-7
IUPAC Name	(2S)-2-amino-4-methylsulfonylbutanoic acid
InChI	InChI=1S/C5H11NO4S/c1-11(9,10)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChI Key	UCUNFLYVYCGDHP-BYPYZUCNSA-N
MDL Number	MFCD00066020
Molecular Formula	C5H11NO4S
Molecular Weight	181.2101
SMILES	O=C(O)[C@@H](N)CCS(=O)(C)=O
UNII	V3Z9QH81BX
Synonyms	7314-32-1, L-Methionine sulfone, (S)-2-Amino-4-(methylsulfonyl)butanoic acid, S-DIOXYMETHIONINE, MFCD00066020, L-2-Amino-4-(methylsulfonyl)butanoic acid, CHEBI:21363, (2S)-2-amino-4-methylsulfonylbutanoic acid, (2S)-2-amino-4-(methylsulfonyl)butanoic acid, L-Methionine sulfone, 98%, methionine s,s-dioxide, (S)-Amino-4-(methylsulphonyl)butyric acid, UNII-V3Z9QH81BX, V3Z9QH81BX, H-Met(O)2-OH, l-methionine sulphone, H-Met(O2)-OH, L-Methioninesulfone,99+%, AC1L9HQ6, L-Methionine, S,S-dioxide, SCHEMBL153635, CHEMBL442720, CTK3E9586, KS-00000VV1, ZINC1691392, 1359AC, ANW-58390, KM1537, AKOS006239561, AM82150, DB03790, AJ-30116, AS-46950, RT-001016, (2S)-2-amino-4-methanesulfonylbutanoic acid, FT-0627957, 314M321, BUTANOIC ACID,2-AMINO-4-(METHYLSULFONYL)-, (2S)-, UNII-5503K54L0R component UCUNFLYVYCGDHP-BYPYZUCNSA-N, (2S)-2-Amino-4-(methylsulfonyl)butanoic Acid (L-Methionine Sulfone), Methionine sulfone, methionine sulfoxide, H-Met(O)-OH, Methionine, S,S-dioxide, L-METHIONINESULFONE, C5H11NO4S, C5-H11-N-O4-S, EINECS 230-774-7, CID445282, ACN-033424, L-Methionine sulfone, 99% - 1G 1g, 820-10-0, OMT,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	181.041g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	181.206g/mol
Monoisotopic Mass	181.041g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	106A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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