Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione
Basic information
- CAS
61582-12-5- Standard SMILES
O=[N+]([O-])c1cccc(C2NC(=S)NC(c3cccc([N+](=O)[O-])c3)N2)c1- InChIKey
KSILGOQDJOJDAR-UHFFFAOYSA-N- Molecular formula
- C15H13N5O4S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.06882509
Names & identifiers
- Preferred name
- Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione
- IUPAC
- 4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione
Names & synonyms
61582-12-5Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thioneDTXSID309771701,3,5-Triazine-2(1H)-thione, tetrahydro-4,6-bis(3-nitrophenyl)-4,6-Bis(3-nitrophenyl)-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
Database identifiers
- CAS
61582-12-5- PubChem CID
- 3036627
- DTXSID
DTXSID30977170
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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