Basic information
- CAS
6996-09-4- Standard SMILES
CCCCN1CSC(=S)N(CCCC)C1- InChIKey
IFDIJNHAPXUYDX-UHFFFAOYSA-N- Molecular formula
- C11H22N2S2
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.12244106
Names & identifiers
- Preferred name
- 3,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thione
- IUPAC
- 3,5-dibutyl-1,3,5-thiadiazinane-2-thione
Names & synonyms
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dibutyl-SVL18775XX6996-09-4NSC 176365NSC-176365BRN 0154616UNII-SVL18775XXDTXSID902202353,5-Dibutyltetrahydro-2H-1,3,5-thiadiazine-2-thioneTetrahydro-3,5-dibutyl-2H-1,3,5-thiadiazine-2-thione4-27-00-07437 (Beilstein Handbook Reference)2H-1,3,5-Thiadiazine-2-thione, 3,5-dibutyltetrahydro-
Show more names
RefChem:198099DTXCID901427263,5-dibutyl-1,3,5-thiadiazinane-2-thioneNSC176365DS-008749
Database identifiers
- CAS
6996-09-4- PubChem CID
- 98908
- DTXSID
DTXSID90220235- UNII
- SVL18775XX
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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