AG00CLSH

Name: 2-(Isopropylsulfanyl)benzoic acid
Brand: Angene Chemical
SKU: AG00CLSH

41394-95-0 | 2-(Isopropylsulfanyl)benzoic acid

AG00CLSH

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CAS Number	41394-95-0
Catalog Number	AG00CLSH(AGN-PC-0LH5AX)
Chemical Name	2-(Isopropylsulfanyl)benzoic acid
IUPAC Name	2-propan-2-ylsulfanylbenzoic acid
InChI	InChI=1S/C10H12O2S/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key	CHFNTLOTIFQVGQ-UHFFFAOYSA-N
MDL Number	MFCD07364761
Molecular Formula	C10H12O2S
Molecular Weight	196.2661
SMILES	CC(SC1=C(C(O)=O)C=CC=C1)C
Synonyms	2-(isopropylthio)benzoic acid, 2-(isopropylthio)benzoic acid, 41394-95-0, 2-(Isopropylsulfanyl)benzoic acid, 2-(propan-2-ylsulfanyl)benzoic acid, Benzoic acid, 2-[(1-methylethyl)thio]-, 2-isopropylmercaptobenzoic acid, 2-propan-2-ylsulfanylbenzoic Acid, AC1NGPF1, ACMC-209jk6, AC1Q1QU1, 2-isopropylsulfanylbenzoic acid, SCHEMBL3309695, 2-(methylethylthio)benzoic acid, CTK1D3875, DTXSID50406477, CHFNTLOTIFQVGQ-UHFFFAOYSA-N, ALBB-009440, ZINC6884162, ANW-29620, BBL000366, MFCD07364761, STK288483, AKOS000172909, MCULE-5467128629, NCGC00339303-01, TR-061189, R9617, ST45130408, V5853, EN300-22333, AB01331885-02, Z242706370, C10H12O2S, CID4777955,

Complexity	180
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	2.8

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