Basic information
- CAS
23515-27-7- Standard SMILES
OCCN1CSC(=S)N(c2ccc(Cl)cc2)C1- InChIKey
LZBGTTMFPNVASD-UHFFFAOYSA-N- Molecular formula
- C11H13ClN2OS2
- Average molar mass
- 288.8 g/mol
- Monoisotopic mass
- 288.0157831
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(p-chlorophenyl)-5-(2-hydroxyethyl)-
- IUPAC
- 3-(4-chlorophenyl)-5-(2-hydroxyethyl)-1,3,5-thiadiazinane-2-thione
Names & synonyms
23515-27-72H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-(p-chlorophenyl)-5-(2-hydroxyethyl)-Tetrahydro-3-(p-chlorophenyl)-5-(2-hydroxyethyl)-2H-1,3,5-thiadiazine-2-thioneDTXSID00178091RefChem:267756DTXCID301005823-(4-chlorophenyl)-5-(2-hydroxyethyl)-1,3,5-thiadiazinane-2-thione
Database identifiers
- CAS
23515-27-7- PubChem CID
- 211673
- DTXSID
DTXSID00178091
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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