AG00HSLZ

Name: 4-(Isopropylsulfanyl)benzoic acid
Brand: Angene Chemical
SKU: AG00HSLZ

13205-50-0 | 4-(Isopropylsulfanyl)benzoic acid

AG00HSLZ

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CAS Number	13205-50-0
Catalog Number	AG00HSLZ(AGN-PC-0164PI)
Chemical Name	4-(Isopropylsulfanyl)benzoic acid
IUPAC Name	4-propan-2-ylsulfanylbenzoic acid
InChI	InChI=1S/C10H12O2S/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key	CPQZLTQBBLQRIN-UHFFFAOYSA-N
MDL Number	MFCD09735126
Molecular Formula	C10H12O2S
Molecular Weight	196.2661
SMILES	CC(SC1=CC=C(C(O)=O)C=C1)C
Synonyms	4-(isopropylthio)benzoic acid, 13205-50-0, 4-(propan-2-ylsulfanyl)benzoic acid, 4-(isopropylsulfanyl)benzoic acid, AC1Q1QU9, SCHEMBL1021140, CTK6B1272, CPQZLTQBBLQRIN-UHFFFAOYSA-N, ZINC22212417, AKOS000143043, MCULE-6968607696, NCGC00339280-01, Benzoic acid, 4-[(1-methylethyl)thio]-, EN300-45551, L-2314, AB01331793-02, F2146-0640,

Complexity	172
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	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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