1-Dodecyl-1,2-dihydro-5H-tetrazole-5-thione
Basic information
- CAS
40588-05-4- Standard SMILES
CCCCCCCCCCCCn1[nH]nnc1=S- InChIKey
UZOALRWXDKRYDU-UHFFFAOYSA-N- Molecular formula
- C13H26N4S
- Average molar mass
- 270.44 g/mol
- Monoisotopic mass
- 270.18781802
Names & identifiers
- Preferred name
- 1-Dodecyl-1,2-dihydro-5H-tetrazole-5-thione
- IUPAC
- 1-dodecyl-2H-tetrazole-5-thione
Names & synonyms
40588-05-41-Dodecyl-1,2-dihydro-5H-tetrazole-5-thioneSCHEMBL6536864DTXSID10627661
Database identifiers
- CAS
40588-05-4- PubChem CID
- 22709239
- DTXSID
DTXSID10627661
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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