AG00DKLF

Name: 2-[(2-Methylpropyl)sulfanyl]benzoic acid
Brand: Angene Chemical
SKU: AG00DKLF

52369-61-6 | 2-[(2-Methylpropyl)sulfanyl]benzoic acid

AG00DKLF

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CAS Number	52369-61-6
Catalog Number	AG00DKLF(AGN-PC-0L4HA6)
Chemical Name	2-[(2-Methylpropyl)sulfanyl]benzoic acid
IUPAC Name	2-(2-methylpropylsulfanyl)benzoic acid
InChI	InChI=1S/C11H14O2S/c1-8(2)7-14-10-6-4-3-5-9(10)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChI Key	JYJZOPWGIOPLTC-UHFFFAOYSA-N
MDL Number	MFCD02729265
Molecular Formula	C11H14O2S
Molecular Weight	210.2927
SMILES	CC(CSc1ccccc1C(=O)O)C
Synonyms	2-[(2-METHYLPROPYL)SULFANYL]BENZOIC ACID, 52369-61-6, Benzoic acid, 2-[(2-methylpropyl)thio]-, 2-(2-methylpropylsulfanyl)benzoic Acid, AC1N2P3Y, SCHEMBL20505216, CTK1G2816, DTXSID80398790, ZINC2584162, KM3753, AKOS000142582, MCULE-1036927752, 2-(ISOBUTYLSULFANYL)BENZOIC ACID, V6379, C11H14O2S, CID4051770,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.071g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.291g/mol
Monoisotopic Mass	210.071g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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