Dihydro-4-methyl-2,6-dipentyl-4H-1,3,5-dithiazine
Basic information
- CAS
101517-89-9- Standard SMILES
CCCCCC1NC(C)SC(CCCCC)S1- InChIKey
UOMOOXAGQIGEIQ-UHFFFAOYSA-N- Molecular formula
- C14H29NS2
- Average molar mass
- 275.5 g/mol
- Monoisotopic mass
- 275.17414228
Names & identifiers
- Preferred name
- Dihydro-4-methyl-2,6-dipentyl-4H-1,3,5-dithiazine
- IUPAC
- 4-methyl-2,6-dipentyl-1,3,5-dithiazinane
Names & synonyms
Dihydro-4-methyl-2,6-dipentyl-4H-1,3,5-dithiazine101517-89-9RefChem:338237DTXSID0012328044-Methyl-2,6-dipentyl-1,3,5-dithiazinane
Database identifiers
- CAS
101517-89-9- PubChem CID
- 85526311
- DTXSID
DTXSID001232804
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 187
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Compound notes
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