AG00DAS7

Name: 4-[(butylthio)methyl]-5-methyl-2-furoic acid
Brand: Angene Chemical
SKU: AG00DAS7

462075-93-0 | 4-[(butylthio)methyl]-5-methyl-2-furoic acid

AG00DAS7

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CAS Number	462075-93-0
Catalog Number	AG00DAS7(AGN-PC-0WB4EO)
Chemical Name	4-[(butylthio)methyl]-5-methyl-2-furoic acid
IUPAC Name	4-(butylsulfanylmethyl)-5-methylfuran-2-carboxylic acid
InChI	InChI=1S/C11H16O3S/c1-3-4-5-15-7-9-6-10(11(12)13)14-8(9)2/h6H,3-5,7H2,1-2H3,(H,12,13)
InChI Key	GELLZSIDRRZODN-UHFFFAOYSA-N
MDL Number	MFCD00475551
Molecular Formula	C11H16O3S
Molecular Weight	228.3079
SMILES	C1(C(O)=O)=CC(=C(C)O1)CSCCCC
Synonyms	462075-93-0, 4-[(BUTYLTHIO)METHYL]-5-METHYL-2-FUROIC ACID, CHEMBRDG-BB 5925680, ST069970, 4-((Butylthio)methyl)-5-methylfuran-2-carboxylic acid, AC1NBBNI, 4-(butylsulfanylmethyl)-5-methylfuran-2-carboxylic acid, CTK4I9245, DTXSID90403329, ZINC3173051, ZX-CM016294, MFCD00475551, AKOS003239962, MCULE-3176114008, 4-butylthiomethyl-5-methyl-2-furoic acid, ACM462075930, AJ-44695, W-7166, 4-(butylthiomethyl)-5-methylfuran-2-carboxylic acid, CID4440694, 4-(butylsulfanylmethyl)-5-methyl-furan-2-carboxylic Acid,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.082g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.306g/mol
Monoisotopic Mass	228.082g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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