AG003P3K

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CAS Number	76926-16-4
Catalog Number	AG003P3K(AGN-PC-00B8V0)
Chemical Name	Cyanomethyl Methyl(phenyl)carbamodithioate
IUPAC Name	cyanomethyl N-methyl-N-phenylcarbamodithioate
InChI	InChI=1S/C10H10N2S2/c1-12(10(13)14-8-7-11)9-5-3-2-4-6-9/h2-6H,8H2,1H3
InChI Key	FYACMHCOSCVNHO-UHFFFAOYSA-N
MDL Number	MFCD16038113
Molecular Formula	C10H10N2S2
Molecular Weight	222.3298
SMILES	CN(c1ccccc1)C(=S)SCC#N
Synonyms	Cyanomethyl methyl(phenyl)carbamodithioate, 76926-16-4, Cyanomethyl N-methyl-N-phenyl dithiocarbamate, 2-Cyanomethyl-N-methyl-N-phenyldithiocarbamate, 2-CYANOMETHYL N-METHYL-N-PHENYLDITHIOCARBAMATE, 2-([METHYL(PHENYL)CARBAMOTHIOYL]SULFANYL)ACETONITRILE, 2-{[METHYL(PHENYL)CARBAMOTHIOYL]SULFANYL}ACETONITRILE, SCHEMBL10107927, MFCD16038113, ZINC34632982, AKOS015891279, SC10804, TRA0075041, cyano-methyl methyl(phenyl)carbamodithioate, cyanomethyl N-methyl-N-phenylcarbamodithioate, FT-0689907, 2-(N-Methylanilinocarbonothioylthio)acetonitrile, I01-8900, Cyanomethyl methyl(phenyl)carbamodithioate, 98% (HPLC), CID11543110, 1-(cyanomethylsulfanyl)-N-methyl-N-phenyl-methanethioamide, 287410-78-0,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.029g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.324g/mol
Monoisotopic Mass	222.029g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	84.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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