Basic information
- CAS
95350-13-3- Standard SMILES
O=c1[nH]nc(SC(F)F)c(=O)[nH]1- InChIKey
UNZTVEQVVGJSKG-UHFFFAOYSA-N- Molecular formula
- C4H3F2N3O2S
- Average molar mass
- 195.15 g/mol
- Monoisotopic mass
- 194.99140384
Names & identifiers
- Preferred name
- 1,2,4-Triazine-3,5(2H,4H)-dione, 6-[(difluoromethyl)thio]-
- IUPAC
- 6-(difluoromethylsulfanyl)-2H-1,2,4-triazine-3,5-dione
Names & synonyms
95350-13-31,2,4-Triazine-3,5(2H,4H)-dione, 6-[(difluoromethyl)thio]-6-[(difluoromethyl)sulfanyl]-1,2,4-triazine-3,5(2H,4H)-dioneUNZTVEQVVGJSKG-UHFFFAOYSA-DTXSID70395354AKOS005139169AKOS016339478AE-848/320030366-((difluoromethyl)thio)-1,2,4-triazine-3,5(2H,4H)-dioneInChI=1/C4H3F2N3O2S/c5-3(6)12-2-1(10)7-4(11)9-8-2/h3H,(H2,7,9,10,11)
Database identifiers
- CAS
95350-13-3- PubChem CID
- 3710120
- DTXSID
DTXSID70395354
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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