AG01EIOL

Name: methyl 4-(methyldisulfanyl)butanoate
Brand: Angene Chemical
SKU: AG01EIOL

2137584-82-6 | methyl 4-(methyldisulfanyl)butanoate

AG01EIOL

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CAS Number	2137584-82-6
Catalog Number	AG01EIOL
Chemical Name	methyl 4-(methyldisulfanyl)butanoate
IUPAC Name	methyl 4-(methyldisulfanyl)butanoate
InChI	InChI=1S/C6H12O2S2/c1-8-6(7)4-3-5-10-9-2/h3-5H2,1-2H3
InChI Key	ZEWCFFAAUKKAJN-UHFFFAOYSA-N
MDL Number	MFCD31457152
Molecular Formula	C6H12O2S2
Molecular Weight	180.2883
SMILES	COC(CCCSSC)=O
Synonyms	SCHEMBL17833863, methyl 4-(methyldisulfanyl)butanoate, 2137584-82-6,

Complexity	95.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.028g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.28g/mol
Monoisotopic Mass	180.028g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	76.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited