AG003RQM

7400-45-5 | Dimethyl 3-thiaadipate

AG003RQM

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	7400-45-5
Catalog Number	AG003RQM(AGN-PC-0JLTJR)
Chemical Name	Dimethyl 3-thiaadipate
EC Number	231-002-1
IUPAC Name	methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate
InChI	InChI=1S/C7H12O4S/c1-10-6(8)3-4-12-5-7(9)11-2/h3-5H2,1-2H3
InChI Key	XNDKLLFGXIEGKL-UHFFFAOYSA-N
MDL Number	MFCD00043633
Molecular Formula	C7H12O4S
Molecular Weight	192.2328
NSC Number	59279
SMILES	O=C(OC)CCSCC(OC)=O
Synonyms	7400-45-5, Dimethyl 3-thiaadipate, Methyl 3-((2-methoxy-2-oxoethyl)thio)propanoate, Methyl 3-[(2-methoxy-2-oxoethyl)thio]propionate, Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoate, Methyl 3-(methoxycarbonylmethylthio)propionate, Propanoic acid, 3-[(2-methoxy-2-oxoethyl)thio]-, methyl ester, DIMETHYL 3-THIADIPATE, XNDKLLFGXIEGKL-UHFFFAOYSA-N, Propanoic acid, 3-(carbomethoxymethylthio)-, methyl ester, methyl 3-(2-methoxy-2-oxoethylthio)propanoate, methyl 3-[(methoxycarbonyl)methylthio]propanoate, methyl 3-(2-methoxy-2-oxoethyl)sulfanylpropanoate, 3-[(2-Methoxy-2-oxoethyl)thio]propionic acid methyl ester, 3-methoxycarbonylmethylsulfanyl-propionic acid methyl ester, Propanoic acid, 3-((2-methoxy-2-oxoethyl)thio)-, methyl ester, Methyl 3-((2-methoxy-2-oxoethyl)thio)propionate, EINECS 231-002-1, NSC 59279, Dimethyl-3-thiaadipate, Dimethyl 3 - thiaadipate, ACMC-1BL9K, dimethyl 3-thiahexanedioate, AC1L32AQ, SCHEMBL1845437, DTXSID6064662, CTK5D9123, 3-Thiaadipic Acid Dimethyl Ester, NSC59279, ZINC1689539, MFCD00043633, NSC-59279, SBB007663, AKOS000369773, FR-0068, GS-6320, MCULE-4546186976, NE10991, RP25180, TRA0074338, AJ-29986, DB-074774, TC-166226, FT-0625060, M2922, ST24047756, KS-00001175, Methyl 3-{(Methoxycarbonyl)methylthio}propionate, methyl-3-(2-methoxy-2-oxoethylthio)-propanoate, 3-(Methoxycarbonylmethylthio)-propionsauremethylester, I14-53680, Z54336728, 3-(Methoxycarbonylmethylthio)propionic Acid Methyl Ester, 3-Methoxycarbonylmethylsulfanylpropanoic acid methyl ester, Methyl 3-[(2-methoxy-2-oxoethyl)sulfanyl]propanoate #, Methyl 3-[(2-methoxy-2-oxoethyl)thio]propionate, 95%, Propanoic acid,3-[(2-methoxy-2-oxoethyl)thio]-, methyl ester, 3-METHOXYCARBONYLMETHYLSULFANYLPROPIONIC ACID METHYL ESTER, Propanoic acid, 3-(((methoxycarbonyl)methyl)thio)-, methyl ester, Propanoic acid, 3-(((methoxycarbonyl)methyl)thio)-, methyl ester (9CI), 1H-Pyrazole-4-boronic acid, Propanoic acid, methyl ester, C7H12O4S, C7-H12-O4-S, CID81891, ACN-032202, Methyl 3-[(methoxycarbonyl)-methylthio]propionate, Propanoic acid, 3-[[(methoxycarbonyl)methyl]thio]-, methyl ester, 3-Methoxycarbonylmethylsulfanyl-propionic acid methyl ester - 10G 10g,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.046g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.229g/mol
Monoisotopic Mass	192.046g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	77.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number