AG00C8KZ

Name: [(3,5-Dimethylbenzyl)thio]acetic acid
Brand: Angene Chemical
SKU: AG00C8KZ

425607-97-2 | [(3,5-Dimethylbenzyl)thio]acetic acid

AG00C8KZ

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CAS Number	425607-97-2
Catalog Number	AG00C8KZ(AGN-PC-0WB4IH)
Chemical Name	[(3,5-Dimethylbenzyl)thio]acetic acid
IUPAC Name	2-[(3,5-dimethylphenyl)methylsulfanyl]acetic acid
InChI	InChI=1S/C11H14O2S/c1-8-3-9(2)5-10(4-8)6-14-7-11(12)13/h3-5H,6-7H2,1-2H3,(H,12,13)
InChI Key	IOFIEJXYCKBAOV-UHFFFAOYSA-N
MDL Number	MFCD02219318
Molecular Formula	C11H14O2S
Molecular Weight	210.2927
SMILES	C(CSCC1C=C(C)C=C(C)C=1)(O[H])=O
Synonyms	425607-97-2, [(3,5-dimethylbenzyl)thio]acetic acid, CBMicro_004570, AC1LGROV, 2-((3,5-Dimethylbenzyl)thio)acetic acid, SCHEMBL10352637, CTK8I7090, SMSF0017103, ZINC5112160, ZX-CM016581, MFCD02219318, AKOS008907274, CB06520, MCULE-3852787804, AJ-53106, BBV-29338853, BIM-0004627.P001, W-9242, 2-[(3,5-dimethylphenyl)methylsulfanyl]acetic acid, 2-{[(3,5-dimethylphenyl)methyl]sulfanyl}acetic acid, CID875732,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.071g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.291g/mol
Monoisotopic Mass	210.071g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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