3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-
Basic information
- CAS
21885-29-0- Standard SMILES
Cn1cnn(C)c1=S- InChIKey
IOVAEPYUPBLCKS-UHFFFAOYSA-N- Molecular formula
- C4H7N3S
- Average molar mass
- 129.19 g/mol
- Monoisotopic mass
- 129.03606841
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-
- IUPAC
- 2,4-dimethyl-1,2,4-triazole-3-thione
Names & synonyms
21885-29-03H-1,2,4-Triazole-3-thione, 2,4-dihydro-2,4-dimethyl-2,4-Dihydro-2,4-dimethyl-3H-1,2,4-triazole-3-thioneDTXSID10176285RefChem:282942DTXCID40987761,4-Dimethyl-1H-1,2,4-triazole-5(4H)-thione2,4-dimethyl-2,4-dihydro-3h-1,2,4-triazole-3-thioneSCHEMBL10202200
Database identifiers
- CAS
21885-29-0- PubChem CID
- 210906
- DTXSID
DTXSID10176285- Nikkaji
- J340.976G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 142
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Compound notes
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