Basic information
- CAS
30894-60-1- Standard SMILES
CC(C)Sc1nc(Cl)nc(Cl)n1- InChIKey
XPBYMVFXDJZOAW-UHFFFAOYSA-N- Molecular formula
- C6H7Cl2N3S
- Average molar mass
- 224.11 g/mol
- Monoisotopic mass
- 222.9737738
Names & identifiers
- Preferred name
- 2,4-Dichloro-6-propan-2-ylsulfanyl-1,3,5-triazine
- IUPAC
- 2,4-dichloro-6-propan-2-ylsulfanyl-1,3,5-triazine
Names & synonyms
30894-60-12,4-Dichloro-6-(isopropylthio)-1,3,5-triazine2,4-dichloro-6-propan-2-ylsulfanyl-1,3,5-triazineSCHEMBL11347643DTXSID70275349AKOS0121665502,4-Dichloro-6-[(propan-2-yl)sulfanyl]-1,3,5-triazine
Database identifiers
- CAS
30894-60-1- PubChem CID
- 35636
- DTXSID
DTXSID70275349- Nikkaji
- J1.615.405I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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