AG01A3HN

Name: 3-(Ethylsulfanyl)benzoic acid
Brand: Angene Chemical
SKU: AG01A3HN

5537-74-6 | 3-(Ethylsulfanyl)benzoic acid

AG01A3HN

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CAS Number	5537-74-6
Catalog Number	AG01A3HN(AGN-PC-0JO2P8)
Chemical Name	3-(Ethylsulfanyl)benzoic acid
IUPAC Name	3-ethylsulfanylbenzoic acid
InChI	InChI=1S/C9H10O2S/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key	MZRQSAWOIUBTQY-UHFFFAOYSA-N
MDL Number	MFCD19666554
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
NSC Number	113991
SMILES	CCSC1=CC(C(O)=O)=CC=C1
UNII	X097NKH6Y5
Synonyms	3-(ethylsulfanyl)benzoic acid, 3-(Ethylthio)benzoic acid, 5537-74-6, NSC113991, 3-ethylsulfanylbenzoic acid, UNII-X097NKH6Y5, X097NKH6Y5, NSC 113991, AC1L6PKK, AC1Q5TSZ, Benzoicacid,3-(ethylthio)-, SCHEMBL1991282, CTK5A3514, DTXSID00203918, ZINC1704340, AKOS013491875, MCULE-7070052311, NE47186, NSC-113991, Z1551463493, AR-1E7695, CID270872, 5579-40-8,

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