CAS 50830-59-6 1,3,4-Thiadiazole, 2-isocyanato-5-(trifluoromethyl)-, dimer (HCID 76871835)

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Basic information

CAS: 50830-59-6
Standard SMILES: O=C=Nc1nnc(C(F)(F)F)s1.O=C=Nc1nnc(C(F)(F)F)s1
InChIKey: URHWSBNYORJPFQ-UHFFFAOYSA-N
Molecular formula: C8F6N6O2S2
Average molar mass: 390.3 g/mol

Names & identifiers

Preferred name: 1,3,4-Thiadiazole, 2-isocyanato-5-(trifluoromethyl)-, dimer
IUPAC: 2-isocyanato-5-(trifluoromethyl)-1,3,4-thiadiazole

Names & synonyms

5-Trifluoromethyl-1,3,4-thiadiazol-2-ylisocyanate dimerRefChem:72256DTXSID8094912URHWSBNYORJPFQ-UHFFFAOYSA-N5-trifluoromethyl-1,3,4-thiadiazol-2yl isocyanate dimer5-trifluoromethyl-1,3,4-thiadiazol- 2-yl isocyanate dimer5-trifluoromethyl-1,3,4-thiadiazol-2-yl isocyanate dimer

Database identifiers

CAS: 50830-59-6
PubChem CID: 76871835

Properties

Computed structural properties

Topological polar surface area: 167 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 16
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 214

Safety & regulation

Hazard information

Regulatory Information1,3,4-Thiadiazole, 2-isocyanato-5-(trifluoromethyl)-, dimer: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.