[(3-Bromo-1,2,4-thiadiazol-5-yl)sulfanyl]methyl methyl cyanocarbonodithioimidate
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Basic information
- CAS
109305-67-1- Standard SMILES
CSC(=NC#N)SCSc1nc(Br)ns1- InChIKey
CYYLJYVWWUREAB-UHFFFAOYSA-N- Molecular formula
- C6H5BrN4S4
- Average molar mass
- 341.3 g/mol
- Monoisotopic mass
- 339.85804
Names & identifiers
- Preferred name
- [(3-Bromo-1,2,4-thiadiazol-5-yl)sulfanyl]methyl methyl cyanocarbonodithioimidate
- IUPAC
- [(3-bromo-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide
- English name
- [(3-BROMO-1,2,4-THIADIAZOL-5-YLTHIO)METHYL] METHYLCYANOCARBONIMIDODITHIOATE
- Molecular formula
- C6H5BrN4S4
- Molecular weight
- 341.3
Names & synonyms
109305-67-1[(3-bromo-1,2,4-thiadiazol-5-yl)sulfanyl]methyl methyl cyanocarbonodithioimidate[(3-bromo-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamide[(3-Bromo-1,2,4-thiadiazol-5-ylthio)methyl] methyl cyanocarbonimidodithioate[(3-bromo-1,2,4-thiadiazol-5-ylthio)methyl] methylcyanocarbonimidodithioateDTXSID10340767CYYLJYVWWUREAB-UITAMQMPSA-NMFCD06658012AKOS015912237DB-040862AI-067/31569043[(3-bromo-1,2,4-thiadiazol-5-ylthio)methyl]methylcyanocarbonimidodithioate
Show more names
[(3-Bromo-1,2,4-thiadiazol-5-ylthio)methyl] methyl(3-bromo-1,2,4-thiadiazol-5-yl)sulfanylmethylsulfanyl-methylsulfanylmethylidene]cyanamideCarbonimidodithioic acid, cyano-, [(3-bromo-1,2,4-thiadiazol-5-yl)thio]methyl methyl ester (9CI)
[(3-Bromo-1,2,4-thiadiazol-5-yl)sulfanyl]methyl methyl cyanodithioimidocarbonate[(3-Bromo-1,2,4-thiadiazol-5-yl)sulfanyl]methyl methyl cyanodithioimidocarbonate #4-Thia-2-azapentanenitrile, 5-(3-bromo-1,2,4-thiadiazole-5-yl)thio-3-methylthio-
Database identifiers
- CAS
109305-67-1- PubChem CID
- 567192
- DTXSID
DTXSID10340767
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 468 · 468.0±55.0 °C(Predicted)
- Density
- 1.88 · 1.88±0.1 g/cm3(Predicted)
- pka
- -5.84 · -5.84±0.48(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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