Basic information
- CAS
21808-80-0- Standard SMILES
CCCCN1CSC(=S)N(Cc2ccccc2)C1- InChIKey
GKODUQFGYOBNMB-UHFFFAOYSA-N- Molecular formula
- C14H20N2S2
- Average molar mass
- 280.5 g/mol
- Monoisotopic mass
- 280.10679099
Names & identifiers
- Preferred name
- 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-
- IUPAC
- 3-benzyl-5-butyl-1,3,5-thiadiazinane-2-thione
Names & synonyms
21808-80-0DTXSID101762252H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-butyl-3-(phenylmethyl)-RefChem:1064990DTXCID00987163-benzyl-5-butyl-1,3,5-thiadiazinane-2-thioneNSC246981CHEMBL136906NSC-246981BRN 1081719NCIStruc1_000753NCIStruc2_001785
Show more names
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3-benzyl-5-butyl-5-Butyl-3-(phenylmethyl)tetrahydro-2H-1,3,5-thiadiazine-2-thioneBDBM50133919CCG-36759NCGC00014605NCI246981Tetrahydro-5-butyl-3-(phenylmethyl)-2H-1,3,5-thiadiazine-2-thioneNSC 246981
Database identifiers
- CAS
21808-80-0- PubChem CID
- 99601
- DTXSID
DTXSID10176225- ChEMBL
CHEMBL136906
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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