AG003JNH

27431-39-6 | 3-Methoxybutyl 2-mercaptoacetate

AG003JNH

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CAS Number	27431-39-6
Catalog Number	AG003JNH(AGN-PC-0R39PH)
Chemical Name	3-Methoxybutyl 2-mercaptoacetate
IUPAC Name	3-methoxybutyl 2-sulfanylacetate
InChI	InChI=1S/C7H14O3S/c1-6(9-2)3-4-10-7(8)5-11/h6,11H,3-5H2,1-2H3
InChI Key	FVOSQWCSFOEXOP-UHFFFAOYSA-N
MDL Number	MFCD04038084
Molecular Formula	C7H14O3S
Molecular Weight	178.2493
SMILES	O=C(OCCC(OC)C)CS
Synonyms	3-Methoxybutyl Thioglycolate, 27431-39-6, 3-Methoxybutyl 2-mercaptoacetate, 3-Methoxybutyl Mercaptoacetate, 3-methoxybutyl 2-sulfanylacetate, 3-MethoxybutylThioglycolate, ACMC-209gx2, SCHEMBL60446, CTK4F9676, DTXSID90475526, FVOSQWCSFOEXOP-UHFFFAOYSA-N, ANW-26196, MFCD04038084, AKOS006280519, Thioglycolic Acid 3-Methoxybutyl Ester, ACM27431396, Mercaptoacetic Acid 3-Methoxybutyl Ester, TC-114941, M2060, KS-00001500, Acetic acid,2-mercapto-, 3-methoxybutyl ester, 3-METHOXYBUTYLMERCAPTOACETATE, CID11998744, Acetic acid, mercapto-, 3-methoxybutyl ester,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.066g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.246g/mol
Monoisotopic Mass	178.066g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	36.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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