AG007RRK

Name: (3-Phenyl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid
Brand: Angene Chemical
SKU: AG007RRK

185034-18-8 | (3-Phenyl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid

AG007RRK

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CAS Number	185034-18-8
Catalog Number	AG007RRK(AGN-PC-01A9RM)
Chemical Name	(3-Phenyl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid
IUPAC Name	2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid
InChI	InChI=1S/C10H9N3O2S/c14-8(15)6-13-9(11-12-10(13)16)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,16)(H,14,15)
InChI Key	LLSYGKQHAYFNCR-UHFFFAOYSA-N
MDL Number	MFCD05721268
Molecular Formula	C10H9N3O2S
Molecular Weight	235.2624
SMILES	OC(=O)Cn1c(n[nH]c1=S)c1ccccc1
Synonyms	185034-18-8, (3-Phenyl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)-acetic acid, CTK8E2692, DTXSID90589213, MFCD05721268, ZINC32099939, ACM185034188, OR309409, RT-005486, T6420, (3-Phenyl-5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetic acid, 2-(3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetic acid, LLSYGKQHAYFNCR-UHFFFAOYSA-N, (3-Phenyl-5-thioxo-1,5-dihydro-[1,2,4]triazol-4-yl)acetic acid,

Complexity	337
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.042g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	235.261g/mol
Monoisotopic Mass	235.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	97A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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