AG00FD49

Name: 4-[(2-Hydroxyethyl)thio]benzoic acid
Brand: Angene Chemical
SKU: AG00FD49

7184-99-8 | 4-[(2-Hydroxyethyl)thio]benzoic acid

AG00FD49

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CAS Number	7184-99-8
Catalog Number	AG00FD49(AGN-PC-0JTPGE)
Chemical Name	4-[(2-Hydroxyethyl)thio]benzoic acid
IUPAC Name	4-(2-hydroxyethylsulfanyl)benzoic acid
InChI	InChI=1S/C9H10O3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2,(H,11,12)
InChI Key	NMWAITMVPVIPGG-UHFFFAOYSA-N
MDL Number	MFCD01048822
Molecular Formula	C9H10O3S
Molecular Weight	198.2389
SMILES	OCCSC1=CC=C(C(=O)O)C=C1
Synonyms	7184-99-8, 4-[(2-hydroxyethyl)thio]benzoic acid, 4-((2-Hydroxyethyl)thio)benzoic acid, NMWAITMVPVIPGG-UHFFFAOYSA-N, 4-(2-Hydroxy-ethylsulfanyl)-benzoic acid, 2-(4-carboxyphenylmercapto)ethanol, 4-[2-Hydroxyethyl)thio]benzoic acid, AC1LCW48, Oprea1_500425, Oprea1_579104, SCHEMBL1018288, CHEMBRDG-BB 5922844, 4-(2-hydroxyethylthio)benzoic acid, ALBB-029464, ZINC2571737, ZX-AN080277, ZX-CM016284, MFCD01048822, STK033125, AKOS000245616, 4-(2-hydroxyethylsulfanyl)benzoic acid, BBV-138524, MCULE-5649490734, 4-[(2-Hydroxyethyl)sulfanyl]benzoic acid, AJ-41932, BAS 00608613, Benzoic acid, 4-[(2-hydroxyethyl)thio]-, 4-[(2-Hydroxyethyl)sulfanyl]benzoic acid #, W-7820, CID607758,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	198.236g/mol
Monoisotopic Mass	198.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	82.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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