AG002Y4I

2935-90-2 | Propanoic acid, 3-mercapto-, methyl ester

AG002Y4I

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CAS Number	2935-90-2
Catalog Number	AG002Y4I(AGN-PC-0JKDUI)
Chemical Name	Propanoic acid, 3-mercapto-, methyl ester
EC Number	220-912-4
IUPAC Name	methyl 3-sulfanylpropanoate
InChI	InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
InChI Key	LDTLDBDUBGAEDT-UHFFFAOYSA-N
MDL Number	MFCD00004895
Molecular Formula	C4H8O2S
Molecular Weight	120.1701
NSC Number	137814
SMILES	O=C(OC)CCS
UNII	V920F0BCRZ
Synonyms	methyl 3-mercaptopropionate, METHYL 3-MERCAPTOPROPIONATE, 2935-90-2, methyl 3-mercaptopropanoate, Methyl 3-sulfanylpropanoate, 3-Mercaptopropionic acid methyl ester, Propanoic acid, 3-mercapto-, methyl ester, Methyl3-mercaptopropionate, Methyl mercaptopropionate, Propionic acid, 3-mercapto-, methyl ester, methyl-3-mercaptopropionate, UNII-V920F0BCRZ, HSDB 5905, EINECS 220-912-4, MFCD00004895, NSC 137814, V920F0BCRZ, Methyl .beta.-mercaptopropionate, LDTLDBDUBGAEDT-UHFFFAOYSA-N, Methyl 3-mercaptopropionate, 98%, methyl-mercaptopropanoate, DSSTox_CID_7509, ACMC-209h8g, methyl-3-mercaptopropanoate, EC 220-912-4, methyl 3-mercaptopropionoate, Methyl 3-sulphanylpropanoate, DSSTox_RID_78480, methyl 3 -mercaptopropanoate, methyl 3-mercapto-propionate, DSSTox_GSID_27509, Methyl-3-mercapto propionate, Methyl beta-mercaptopropionate, Methyl 3-sulfanylpropanoate #, SCHEMBL162344, 3-mercaptopropionic acid methyl, AC1L2B92, Jsp005590, CHEMBL3188420, DTXSID6027509, CTK3J0009, LDTLDBDUBGAEDT-UHFFFAOYSA-, BCP16637, KS-00000UT6, ZINC3860879, Tox21_200030, ANW-26606, NSC137814, 3-mercapto-propionic acid methyl ester, 3-mercaptopropionic acid, methyl ester, AKOS009031173, AS-9935, MCULE-1695345183, NSC-137814, RP19380, RTR-012791, TRA0055252, NCGC00248499-01, NCGC00257584-01, AK308458, AN-20199, BC219495, Propanoic acid,3-mercapto-, methyl ester, SC-25232, CAS-2935-90-2, LS-121512, TR-012791, CS-0000049, FT-0628568, M1434, V4531, Propionic acid, 3-mercapto-, methyl ester (8CI), I09-1123, Q-200382, F0001-0912, InChI=1/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3, 3-FUROIC ACID, Propanoic acid, methyl ester, Propionic acid, methyl ester, C4H8O2S, C4-H8-O2-S, CID18050, Methyl 3-mercaptopropionate, 99% - 100G 100g,

Complexity	62.7
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	1
Isotope Atom Count	0
Molecular Weight	120.166g/mol
Monoisotopic Mass	120.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	27.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H317-H319
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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