3-Benzyl-5-propyl-1,3,5-thiadiazinane-2-thione
Basic information
- CAS
93429-26-6- Standard SMILES
CCCN1CSC(=S)N(Cc2ccccc2)C1- InChIKey
YKNNCHCPZPMAKC-UHFFFAOYSA-N- Molecular formula
- C13H18N2S2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.09114093
Overview
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Names & identifiers
- Preferred name
- 3-Benzyl-5-propyl-1,3,5-thiadiazinane-2-thione
- IUPAC
- 3-benzyl-5-propyl-1,3,5-thiadiazinane-2-thione
- English name
- 3-benzyl-5-propyl-1,3,5-thiadiazinane-2-thione
- Molecular formula
- C13H18N2S2
- Molecular weight
- 266.42542
Names & synonyms
3-benzyl-5-propyl-1,3,5-thiadiazinane-2-thione93429-26-6NSC159050DTXSID50303558AKOS024333852NSC-1590503-BENZYL-5-PROPYLTETRAHYDRO-2H-1,3,5-THIADIAZINE-2-THIONE
Database identifiers
- CAS
93429-26-6- PubChem CID
- 292865
- DTXSID
DTXSID50303558
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
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Compound notes
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