Cyanomethyl methyl(phenyl)carbamodithioate

Base Information

• Chemical Name: Cyanomethyl methyl(phenyl)carbamodithioate
• CAS No.: 76926-16-4
• Molecular Formula: C10H10 N2 S2
• Molecular Weight: 222.33000
• European Community (EC) Number: 687-396-4
• DSSTox Substance ID: DTXSID601337818
• Nikkaji Number: J3.041.385G
• Mol file: 76926-16-4.mol

Synonyms:Cyanomethyl methyl(phenyl)carbamodithioate;76926-16-4;cyanomethyl N-methyl-N-phenylcarbamodithioate;2-CYANOMETHYL N-METHYL-N-PHENYLDITHIOCARBAMATE;2-Cyanomethyl-N-methyl-N-phenyldithiocarbamate;2-{[METHYL(PHENYL)CARBAMOTHIOYL]SULFANYL}ACETONITRILE;SCHEMBL10107927;DTXSID601337818;BDA92616;MFCD16038113;AKOS015891279;Cyanomethylmethyl(phenyl)carbamodithioate;AS-65420;cyano-methyl methyl(phenyl)carbamodithioate;C3534;CS-0031657;FT-0689907;NS00015581;EN300-768690;T71323;Cyanomethyl methyl(phenyl)carbamodithioate, 98% (HPLC);Z1269194586

Chemical Property of Cyanomethyl methyl(phenyl)carbamodithioate

Chemical Property:

• Melting Point: 88-92°C
• Boiling Point: 347.1±44.0 °C(Predicted)
• PKA: -1.29±0.50(Predicted)
• PSA: 84.42000
• Density: 1.286±0.06 g/cm3(Predicted)
• LogP: 2.66448
• Storage Temp.: 2-8°C
• Sensitive.: light sensitive, store cold
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 222.02854067
• Heavy Atom Count: 14
• Complexity: 238

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyanomethyl methyl(phenyl)carbamodithioate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 42
• Safety Statements: 22-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C(=S)SCC#N
• Uses: Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization