AG005XUN

74431-50-8 | 3-(Benzoylthio)-2-methylpropionic acid

AG005XUN

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CAS Number	74431-50-8
Catalog Number	AG005XUN(AGN-PC-0WALK7)
Chemical Name	3-(Benzoylthio)-2-methylpropionic acid
IUPAC Name	3-benzoylsulfanyl-2-methylpropanoic acid
InChI	InChI=1S/C11H12O3S/c1-8(10(12)13)7-15-11(14)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,13)
InChI Key	BCAYPPFBOJCRPN-UHFFFAOYSA-N
MDL Number	MFCD09864827
Molecular Formula	C11H12O3S
Molecular Weight	224.2762
SMILES	CC(CSC(=O)C1=CC=CC=C1)C(O)=O
Synonyms	74431-50-8, 3-(Benzoylthio)-2-methylpropanoic acid, 3-(BENZOYLTHIO)-2-METHYLPROPIONIC ACID, 3-(Benzoylsulfanyl)-2-methylpropanoic acid, BCAYPPFBOJCRPN-UHFFFAOYSA-N, 3-Benzoylthio-2-methylpropanoic acid, 3-(benzoylthio)-2-methylpropionicacid, 3-benzoylsulfanyl-2-methylpropanoic acid, (S)-3-(Benzoylthio)-2-methylpropionic acid, EINECS 277-867-9, AC1LC4OX, propanoic acid, 3-(benzoylthio)-2-methyl-, (1)-3-(Benzoylthio)-2-methylpropionic acid, AC1Q5S0J, SCHEMBL1356206, benzoylsulfanylmethylpropanoicacid, CTK5D9862, KS-00000KQ9, ZX-AT018994, 3-benzoylthio-2-methylpropionic acid, ANW-55927, MFCD09864827, SBB064099, 3-benzoylthio-2-methyl-propionic acid, 3-Benzoylthio-2-methylpropanoi c acid, AKOS005073773, CB-2906, OR15471, RP12969, SS-2940, VZ26061, 112GI003, 3-benzoylsulfanyl-2-methyl-propanoic acid, AK-50765, AN-37121, Propanoic acid,3-(benzoylthio)-2-methyl-, AX8034806, DB-008993, TR-030845, (D)-3-(Benzoylthio)-2-methylpropanoic acid, FT-0645371, ST24041530, 2-methyl-3-(phenylcarbonylthio)propanoic acid, 3-(Benzoylsulfanyl)-2-methylpropanoic acid #, 2-methyl-3-(phenylcarbonylsulfanyl)propanoic acid, 431B508, A838130, J-510805, 2-Methyl-3-[(phenylcarbonyl)sulphanyl]propanoic acid, 3(S)-(+)-(1-carbamoyl-1,1- Diphenylmethyl) pyrrolidine-L (+)-Tartrate, C11H12O3S, 2-methoxy-4-methyl-5-nitropyridine, AR-1L2260, C11-H12-O3-S, CID569497, 3-(Benzoylthio)-2-methylpropanoicacid, (S)-(-)-3-benzoylthio-2-methylpropanoic acid, (+-)-3-(benzoylthio)-2-methylpropionic acid, 72679-02-8, (S)-(-)-3-(BENZOYLTHIO)-2-METHYLPROPANOIC ACID, (5R,6S)-6-[(1R)-1-Hydroxyethyl]-3-[[2-[(iminomethyl)amino]ethyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid monohydrate, 75179-73-6,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.274g/mol
Monoisotopic Mass	224.051g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	79.7A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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