1-methyl-2H-tetrazole-5-thione;hydrate
Basic information
- CAS
207511-12-4- Standard SMILES
Cn1[nH]nnc1=S.O- InChIKey
NIAIUMJDIJBPOR-UHFFFAOYSA-N- Molecular formula
- C2H6N4OS
- Average molar mass
- 134.16 g/mol
- Monoisotopic mass
- 134.026232
Names & identifiers
- Preferred name
- 1-methyl-2H-tetrazole-5-thione;hydrate
- IUPAC
- 1-methyl-2H-tetrazole-5-thione;hydrate
Names & synonyms
207511-12-4DTXSID807249941-Methyl-1,2-dihydro-5H-tetrazole-5-thione--water (1/1)
Database identifiers
- CAS
207511-12-4- PubChem CID
- 57375642
- DTXSID
DTXSID80724994
Properties
Computed structural properties
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 119
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Compound notes
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