AG00251D

Name: 2-((Ethylthio)methyl)benzoic acid
Brand: Angene Chemical
SKU: AG00251D

176983-05-4 | 2-((Ethylthio)methyl)benzoic acid

AG00251D

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CAS Number	176983-05-4
Catalog Number	AG00251D(AGN-PC-0NK5KQ)
Chemical Name	2-((Ethylthio)methyl)benzoic acid
IUPAC Name	2-(ethylsulfanylmethyl)benzoic acid
InChI	InChI=1S/C10H12O2S/c1-2-13-7-8-5-3-4-6-9(8)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key	RVXITNAXCDFMOI-UHFFFAOYSA-N
MDL Number	MFCD11575985
Molecular Formula	C10H12O2S
Molecular Weight	196.2661
SMILES	CCSCC1=C(C(O)=O)C=CC=C1
Synonyms	2-[(ethylsulfanyl)methyl]benzoic acid, 176983-05-4, Benzoic acid, 2-[(ethylthio)methyl]-, 2-((ethylthio)methyl)benzoic acid, CTK0A7115, DTXSID40509103, ZINC20394938, AKOS009143964, NE28486,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.056g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.264g/mol
Monoisotopic Mass	196.056g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.6A^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