6-[(E)-2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Basic information
- CAS
69830-26-8- Standard SMILES
O=c1[nH]c(=S)[nH]nc1/C=C/c1cccc(I)c1- InChIKey
WCMNSCJJXIIRLY-SNAWJCMRSA-N- Molecular formula
- C11H8IN3OS
- Average molar mass
- 357.17 g/mol
- Monoisotopic mass
- 356.94328
Names & identifiers
- Preferred name
- 6-[(E)-2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
- IUPAC
- 6-[(E)-2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Names & synonyms
NSC27589169830-26-8DTXSID40421790NSC-2758916-[(E)-2-(3-Iodophenyl)ethen-1-yl]-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Database identifiers
- CAS
69830-26-8- PubChem CID
- 6046550
- DTXSID
DTXSID40421790
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…