AG01ACHK

Name: 1,3-dimethyl-5-(phenylsulfanyl)-1H-pyrazole-4-carboxylic acid
Brand: Angene Chemical
SKU: AG01ACHK

1405124-86-8 | 1,3-dimethyl-5-(phenylsulfanyl)-1H-pyrazole-4-carboxylic acid

AG01ACHK

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CAS Number	1405124-86-8
Catalog Number	AG01ACHK
Chemical Name	1,3-dimethyl-5-(phenylsulfanyl)-1H-pyrazole-4-carboxylic acid
IUPAC Name	1,3-dimethyl-5-phenylsulfanylpyrazole-4-carboxylic acid
InChI	InChI=1S/C12H12N2O2S/c1-8-10(12(15)16)11(14(2)13-8)17-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,15,16)
InChI Key	DYJPXFCOASLTEC-UHFFFAOYSA-N
MDL Number	MFCD18615792
Molecular Formula	C12H12N2O2S
Molecular Weight	248.3009
SMILES	CC1C(C(O)=O)=C(SC2=CC=CC=C2)N(C)N=1
Synonyms	1,3-dimethyl-5-(phenylsulfanyl)-1H-pyrazole-4-carboxylic acid, 1405124-86-8, ZINC95883465, AKOS013062380, NE47115,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.062g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.3g/mol
Monoisotopic Mass	248.062g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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