2-Propan-2-yl-1,2,5-thiadiazole-3-thione
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Basic information
- CAS
246227-55-4- Standard SMILES
CC(C)n1sncc1=S- InChIKey
WPQIJYDTLSONEW-UHFFFAOYSA-N- Molecular formula
- C5H8N2S2
- Average molar mass
- 160.3 g/mol
- Monoisotopic mass
- 160.01289061
Names & identifiers
- Preferred name
- 2-Propan-2-yl-1,2,5-thiadiazole-3-thione
- IUPAC
- 2-propan-2-yl-1,2,5-thiadiazole-3-thione
- English name
- 1,2,5-Thiadiazole-3(2H)-thione,2-(1-methylethyl)-(9CI)
- Molecular formula
- C5H8N2S2
- Molecular weight
- 160.26
Names & synonyms
1,2,5-Thiadiazole-3(2H)-thione, 2-(1-methylethyl)-1,2,5-Thiadiazole-3(2H)-thione,2-(1-methylethyl)-(9CI)
Database identifiers
- CAS
246227-55-4- PubChem CID
- 45096109
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Boiling point
- 204.7 · 204.7±23.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -0.25 · -0.25±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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