AG019QKA

Name: 3-[(Methylsulfanyl)methyl]-1-benzothiophene-2-carboxylic acid
Brand: Angene Chemical
SKU: AG019QKA

1178202-34-0 | 3-[(Methylsulfanyl)methyl]-1-benzothiophene-2-carboxylic acid

AG019QKA

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CAS Number	1178202-34-0
Catalog Number	AG019QKA(AGN-PC-0WO5A1)
Chemical Name	3-[(Methylsulfanyl)methyl]-1-benzothiophene-2-carboxylic acid
IUPAC Name	3-(methylsulfanylmethyl)-1-benzothiophene-2-carboxylic acid
InChI	InChI=1S/C11H10O2S2/c1-14-6-8-7-4-2-3-5-9(7)15-10(8)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key	CSLIMGSNLSQIFR-UHFFFAOYSA-N
MDL Number	MFCD12779516
Molecular Formula	C11H10O2S2
Molecular Weight	238.3259
SMILES	CSCC1C2=C(C=CC=C2)SC=1C(O)=O
Synonyms	3-[(methylsulfanyl)methyl]-1-benzothiophene-2-carboxylic acid, 1178202-34-0, ZINC38063408, AKOS010252723, MCULE-8549435411, NE50979, EN300-87840, Z1262237293,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.012222g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	238.3g/mol
Monoisotopic Mass	238.012222g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	90.8Å²
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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