AG003JNG

27431-40-9 | 3-Methoxybutyl 3-mercaptopropanoate

AG003JNG

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CAS Number	27431-40-9
Catalog Number	AG003JNG(AGN-PC-0JLNWQ)
Chemical Name	3-Methoxybutyl 3-mercaptopropanoate
IUPAC Name	3-methoxybutyl 3-sulfanylpropanoate
InChI	InChI=1S/C8H16O3S/c1-7(10-2)3-5-11-8(9)4-6-12/h7,12H,3-6H2,1-2H3
InChI Key	APWBGRBFKMJPLW-UHFFFAOYSA-N
MDL Number	MFCD04038137
Molecular Formula	C8H16O3S
Molecular Weight	192.2758
SMILES	COC(C)CCOC(=O)CCS
Synonyms	3-Methoxybutyl 3-Mercaptopropionate, 27431-40-9, 3-Methoxybutyl 3-mercaptopropanoate, 3-methoxybutyl 3-sulfanylpropanoate, beta-MPA-MB, ACMC-1CJJY, AC1L3UI4, AC1Q66LI, SCHEMBL1045729, CTK4F9677, DTXSID90276257, 3-Methoxybutyl3-Mercaptopropionate, KS-000011YD, ANW-26197, MFCD04038137, AKOS025295043, ACM27431409, TC-114942, M1802, 3-Mercaptopropionic Acid 3-Methoxybutyl Ester, Propanoic acid,3-mercapto-, 3-methoxybutyl ester, AR-1F4011, CID122398, 2818-89-5,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.082g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.273g/mol
Monoisotopic Mass	192.082g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	36.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number