AG019X97

Name: 2-[(3-methylbutyl)sulfanyl]acetic acid
Brand: Angene Chemical
SKU: AG019X97

857557-30-3 | 2-[(3-methylbutyl)sulfanyl]acetic acid

AG019X97

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CAS Number	857557-30-3
Catalog Number	AG019X97(AGN-PC-0WO466)
Chemical Name	2-[(3-methylbutyl)sulfanyl]acetic acid
IUPAC Name	2-(3-methylbutylsulfanyl)acetic acid
InChI	InChI=1S/C7H14O2S/c1-6(2)3-4-10-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChI Key	NPSXKQOUJQGWPS-UHFFFAOYSA-N
MDL Number	MFCD08445062
Molecular Formula	C7H14O2S
Molecular Weight	162.2499
SMILES	CC(CCSCC(O)=O)C
Synonyms	2-[(3-methylbutyl)sulfanyl]acetic acid, 857557-30-3, [(3-Methylbutyl)thio]acetic acid, AC1Q1PI1, 2-(isopentylthio)acetic acid, SCHEMBL1405521, CTK6A8131, ZINC20285070, AKOS000147550, MCULE-6718693744, NE38341, EN300-54384, Z228589154, Acetic acid, 2-[(3-methylbutyl)thio],

Complexity	102
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.071g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.247g/mol
Monoisotopic Mass	162.071g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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