AG00G394

Name: 2-(Tert-butylthio)benzoic acid
Brand: Angene Chemical
SKU: AG00G394

7611-60-1 | 2-(Tert-butylthio)benzoic acid

AG00G394

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CAS Number	7611-60-1
Catalog Number	AG00G394(AGN-PC-0JWB4I)
Chemical Name	2-(Tert-butylthio)benzoic acid
IUPAC Name	2-tert-butylsulfanylbenzoic acid
InChI	InChI=1S/C11H14O2S/c1-11(2,3)14-9-7-5-4-6-8(9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI Key	DNHZXAWPEMAWPW-UHFFFAOYSA-N
MDL Number	MFCD06206263
Molecular Formula	C11H14O2S
Molecular Weight	210.2927
SMILES	C1(C(=O)O)=CC=CC=C1SC(C)(C)C
Synonyms	2-tert-butylsulfanylbenzoic acid, 2-tert-Butylsulfanyl-benzoic acid, 7611-60-1, 2-(tert-Butylthio)benzoic acid, 2-(tert-butylsulfanyl)benzoic acid, AC1LFJRU, BAS 00529571, SCHEMBL10447747, CTK7I9076, KS-00003KDU, DTXSID50355512, ZINC312621, AKOS000663749, FS-1416, SR-01000315734, SR-01000315734-1, CID804107,

Complexity	208
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	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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