AG00DEE1

4455-13-4 | Ethyl (methylthio)acetate

AG00DEE1

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CAS Number	4455-13-4
Catalog Number	AG00DEE1(AGN-PC-0JLR7G)
Chemical Name	Ethyl (methylthio)acetate
EC Number	224-700-2
FEMA Number	3835
IUPAC Name	ethyl 2-methylsulfanylacetate
InChI	InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3
InChI Key	MDIAKIHKBBNYHF-UHFFFAOYSA-N
MDL Number	MFCD00009182
Molecular Formula	C5H10O2S
Molecular Weight	134.1967
NSC Number	165655
SMILES	CSCC(=O)OCC
UNII	6148QQN25T
Synonyms	Ethyl (methylthio)acetate, 4455-13-4, Ethyl 2-(methylthio)acetate, Acetic acid, (methylthio)-, ethyl ester, Ethyl 2-(methylthio)-acetate, ethyl 2-methylsulfanylacetate, (Methylthio)acetic acid ethyl ester, UNII-6148QQN25T, Ethyl alpha-(methylthio)acetate, ethyl 2-(methylsulfanyl)acetate, Ethyl .alpha.(methylthio)acetate, MDIAKIHKBBNYHF-UHFFFAOYSA-N, 6148QQN25T, MFCD00009182, methylsulfanyl-acetic acid ethyl ester, EINECS 224-700-2, MeSCH2CO2Et, ACMC-1ADWR, AC1L2UPG, ethyl ((methylthio)acetate, AC1Q65CS, Ethyl a-(methylthio)acetate, ethyl(methylsulphanyl)acetate, Ethyl (methylsulfanyl)acetate, ethyl (methylsulphanyl)acetate, ethyl(methylsulphanyl)-acetate, KSC497S5D, Ethyl alpha(methylthio)acetate, SCHEMBL891469, ethyl (methylsulphanyl)-acetate, ethyl 2-(methyl thio) acetate, Ethyl (methylsulfanyl)acetate #, CTK3J7951, Ethyl (methylthio)acetate, 98%, ethyl alpha-(methylthio)-acetate, FEMA 3835, MDIAKIHKBBNYHF-UHFFFAOYSA-, DTXSID40196219, Methyl thioacetic acid ethyl ester, ZINC407006, ANW-30134, NSC165655, AKOS008952050, NSC-165655, RTC-020253, KS-000001U2, Ethyl (methylthio)acetate, >=98%, FG, AJ-22556, AK125052, AN-21021, CJ-04113, ZB013739, AB0060135, TC-020253, FT-0625807, M0897, ST24046807, I09-1163, InChI=1/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3, Ethyl 2-methylthioacetate, Ethyl 2-?methylthio?acetate, Methylthioacetic acid ethyl ester, C5-H10-O2-S, CID78199, AR-1I8077, Ethyl (methylthio)acetate, 98% 5g, Ethyl (methylthio)acetate, 95% - 100G 100g, 48047-95-6,

Complexity	72.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	134.04g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	134.193g/mol
Monoisotopic Mass	134.04g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3272

Certificate of Analysis

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