AG01AKJS

Name: 2-[(3-Methylbut-2-en-1-yl)sulfanyl]benzoic acid
Brand: Angene Chemical
SKU: AG01AKJS

1019351-72-4 | 2-[(3-Methylbut-2-en-1-yl)sulfanyl]benzoic acid

AG01AKJS

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CAS Number	1019351-72-4
Catalog Number	AG01AKJS
Chemical Name	2-[(3-Methylbut-2-en-1-yl)sulfanyl]benzoic acid
IUPAC Name	2-(3-methylbut-2-enylsulfanyl)benzoic acid
InChI	InChI=1S/C12H14O2S/c1-9(2)7-8-15-11-6-4-3-5-10(11)12(13)14/h3-7H,8H2,1-2H3,(H,13,14)
InChI Key	OVBFVTKTEZWJIB-UHFFFAOYSA-N
MDL Number	MFCD11127705
Molecular Formula	C12H14O2S
Molecular Weight	222.3034
SMILES	C/C(/C)=C/CSC1=C(C(O)=O)C=CC=C1
Synonyms	2-[(3-methylbut-2-en-1-yl)sulfanyl]benzoic acid, EN300-84352, 1019351-72-4, SCHEMBL3790815, 2-(Isopentenylthio)benzoic acid, ZINC19806707, AKOS000203108, BBV-095072, MCULE-9531562651, NE37720,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.071g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.302g/mol
Monoisotopic Mass	222.071g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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