5-Amino-3-methyl-1,3,4-thiadiazole-2-thione
Basic information
- CAS
226211-50-3- Standard SMILES
Cn1nc(N)sc1=S- InChIKey
VVBZWOKPEUTCJQ-UHFFFAOYSA-N- Molecular formula
- C3H5N3S2
- Average molar mass
- 147.2 g/mol
- Monoisotopic mass
- 146.99248952
Names & identifiers
- Preferred name
- 5-Amino-3-methyl-1,3,4-thiadiazole-2-thione
- IUPAC
- 5-amino-3-methyl-1,3,4-thiadiazole-2-thione
- English name
- 1,3,4-Thiadiazole-2(3H)-thione,5-amino-3-methyl-(9CI)
- Molecular formula
- C3H5N3S2
- Molecular weight
- 147.22
Names & synonyms
AKOS0063520241,3,4-Thiadiazole-2(3H)-thione, 5-amino-3-methyl-1,3,4-Thiadiazole-2(3H)-thione,5-amino-3-methyl-(9CI)
Database identifiers
- CAS
226211-50-3- PubChem CID
- 10510994
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 192 · 192-193 °C
- Boiling point
- 233.2 · 233.2±23.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- -1 · -1.00±0.40(Predicted)
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Related reactions
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Compound notes
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