AG005RGO

Name: 4-[(Methylsulfanyl)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG005RGO

67003-48-9 | 4-[(Methylsulfanyl)methyl]benzoic acid

AG005RGO

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CAS Number	67003-48-9
Catalog Number	AG005RGO(AGN-PC-0KHQAY)
Chemical Name	4-[(Methylsulfanyl)methyl]benzoic acid
IUPAC Name	4-(methylsulfanylmethyl)benzoic acid
InChI	InChI=1S/C9H10O2S/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key	RRZKHKRMPGMOFO-UHFFFAOYSA-N
MDL Number	MFCD06373463
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
SMILES	CSCC1=CC=C(C=C1)C(=O)O
Synonyms	67003-48-9, 4-((Methylthio)methyl)benzoic acid, 4-[(Methylsulfanyl)methyl]benzoic acid, 4-[(methylthio)methyl]benzoic acid, 4-(Methylthiomethyl)benzoic acid, 4-(methylsulfanylmethyl)benzoic Acid, ACMC-209nxe, AC1M8CWJ, AC1Q4HB7, SCHEMBL8665833, CTK5C5540, DTXSID30368903, ZINC3415976, 0287AC, ANW-35280, KM1056, MFCD06373463, AKOS008955035, Benzoic acid,4-[(methylthio)methyl]-, MCULE-5845744353, NCGC00341601-01, AJ-45000, NS-01615, TC-124025, ST24042767, EN300-11908, AB01332711-02, J-514215, I01-11594, Z51581091, 4-[ methyl]benzoicacid, C9H10O2S, 4-((Methylthio)methyl)benzoicacid, CID2535031,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.237g/mol
Monoisotopic Mass	182.04g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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