AG002L3Z

Name: Benzoic acid, 2-(ethylthio)-
Brand: Angene Chemical
SKU: AG002L3Z

21101-79-1 | Benzoic acid, 2-(ethylthio)-

AG002L3Z

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CAS Number	21101-79-1
Catalog Number	AG002L3Z(AGN-PC-0JR369)
Chemical Name	Benzoic acid, 2-(ethylthio)-
IUPAC Name	2-ethylsulfanylbenzoic acid
InChI	InChI=1S/C9H10O2S/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key	GLGKZKZNXSHACI-UHFFFAOYSA-N
MDL Number	MFCD00094046
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
SMILES	C1(C=CC=CC=1SCC)C(O)=O
Synonyms	2-(ethylthio)benzoic acid, 21101-79-1, 2-ethylsulfanylbenzoic Acid, 2-(ethylsulfanyl)benzoic acid, Benzoic acid, 2-(ethylthio)-, F2135-0498, 2-ethylthiobenzoic acid, ACMC-209fhn, AC1L8GB3, AC1Q38EM, 2-(ethyl thio)benzoic acid, 2-ethylsulfanyl benzoic acid, 2-ethylsulfanyl-benzoic acid, SCHEMBL2747847, 2-(ETHYLTHIO)BENZOICACID, DTXSID30330004, 2-(S-?thylmercapto)-benzoes?ure, GLGKZKZNXSHACI-UHFFFAOYSA-N, ALBB-009419, ZINC4205620, 7178AD, ANW-24345, BBL000357, MFCD00094046, STK288471, AKOS000264500, 2-(ethylthio)benzoic acid, AldrichCPR, MCULE-8967903143, AJ-48800, AB0056597, TR-061174, FT-0694850, ST45130398, EN300-12664, B-7841, 2- BENZOICACID, C9H10O2S, CID425758,

Complexity	159
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