Basic information
- CAS
30360-84-0- Standard SMILES
C=CCSc1nc(N)nc(N)n1- InChIKey
FYLLUJMXICHDIP-UHFFFAOYSA-N- Molecular formula
- C6H9N5S
- Average molar mass
- 183.24 g/mol
- Monoisotopic mass
- 183.05786648
Names & identifiers
- Preferred name
- 2-(Allylthio)-4,6-diamino-S-triazine
- IUPAC
- 6-prop-2-enylsulfanyl-1,3,5-triazine-2,4-diamine
Names & synonyms
2-(ALLYLTHIO)-4,6-DIAMINO-S-TRIAZINE30360-84-0SCHEMBL6551088DTXSID802752146-[(Prop-2-en-1-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
30360-84-0- PubChem CID
- 35128
- DTXSID
DTXSID80275214- Nikkaji
- J1.613.461I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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