Tetrahydrothiadiazine-2-thione
Basic information
- CAS
6995-80-8- Standard SMILES
S=C1NCNCS1- InChIKey
RUEOBRARCKLXJO-UHFFFAOYSA-N- Molecular formula
- C3H6N2S2
- Average molar mass
- 134.23 g/mol
- Monoisotopic mass
- 133.99724055
Names & identifiers
- Preferred name
- Tetrahydrothiadiazine-2-thione
- IUPAC
- 1,3,5-thiadiazinane-2-thione
Names & synonyms
Tetrahydrothiadiazine-2-thione6995-80-8DTXSID60220227RefChem:188713DTXCID601427181,3,5-thiadiazinane-2-thioneSCHEMBL4863159Tetrahydro-1,3,5-thiadiazin-2-thione2H-1,3,5-Thiadiazine-2-thione, tetrahydro-
Database identifiers
- CAS
6995-80-8- PubChem CID
- 3036623
- DTXSID
DTXSID60220227- Nikkaji
- J1.551.925H
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 83
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Compound notes
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