AG002TCV

26473-47-2 | Propanoic acid, 3-mercapto-2-methyl-

AG002TCV

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CAS Number	26473-47-2
Catalog Number	AG002TCV(AGN-PC-0JPJ5A)
Chemical Name	Propanoic acid, 3-mercapto-2-methyl-
EC Number	247-726-6
IUPAC Name	2-methyl-3-sulfanylpropanoic acid
InChI	InChI=1S/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6)
InChI Key	MHRDCHHESNJQIS-UHFFFAOYSA-N
MDL Number	MFCD00671555
Molecular Formula	C4H8O2S
Molecular Weight	120.1701
SMILES	SCC(C(=O)O)C
Synonyms	3-mercapto-2-methylpropionate, 3-mercapto-2-methylpropionic acid, 3-mercapto-2-methylpropionic acid, monocalcium salt, 3-mercapto-2-methylpropionic acid, monopotassium salt, 3-mercapto-2-methylpropionic acid, monosodium salt, MMPA, 3-Mercaptoisobutyric acid, 26473-47-2, 3-mercapto-2-methylpropanoic acid, 3-Mercapto-2-methylpropionic acid, 3-MercaptoisobutyricAcid, 2-methyl-3-sulfanylpropanoic acid, Propanoic acid, 3-mercapto-2-methyl-, EINECS 247-726-6, MFCD00671555, ACMC-209grn, Captopril EP Impurity C, AC1L49BS, SCHEMBL161586, 3-Mercapto-2-methylpropansaure, CHEMBL3100057, CTK4F7953, MHRDCHHESNJQIS-UHFFFAOYSA-, MHRDCHHESNJQIS-UHFFFAOYSA-N, 2-methyl-3-sulfanyl-propanoic acid, 3-Mercapto-2-methyl-propionic acid, KS-000015SF, Propanoicacid,3-mercapto-2-methyl-, ANW-26001, Propanoic acid,3-mercapto-2-methyl-, AKOS009159080, (2RS)-2-Methyl-3-sulfanyl-propanoic Acid, TC-114746, A5246, FT-0084694, FT-0615948, M1200, Y3236, 2-Methyl-3-sulfanylpropanoic acid AldrichCPR, 2-Methyl-3-sulfanylpropanoic acid, AldrichCPR, J-016445, InChI=1/C4H8O2S/c1-3(2-7)4(5)6/h3,7H,2H2,1H3,(H,5,6), UNII-V3E4016VAS, C4H8O2S, |A-Mercapto-isobutyric Acid, V3E4016VAS, C4-H8-O2-S, 3-Mercapto-2-methyl propanoic acid, CID152910,

Complexity	72.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.025g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	120.166g/mol
Monoisotopic Mass	120.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number