Basic information
- CAS
138282-13-0- Standard SMILES
C#Cc1n[nH]c(=S)s1- InChIKey
UQHRJJFHPHVRDR-UHFFFAOYSA-N- Molecular formula
- C4H2N2S2
- Average molar mass
- 142.2 g/mol
Names & identifiers
- Preferred name
- 5-ethynyl-3H-1,3,4-thiadiazole-2-thione
- IUPAC
- 5-ethynyl-3H-1,3,4-thiadiazole-2-thione
- English name
- 1,3,4-Thiadiazole-2(3H)-thione, 5-ethynyl-
- Molecular formula
- C4H2N2S2
- Molecular weight
- 0
Names & synonyms
1,3,4-Thiadiazole-2(3H)-thione, 5-ethynyl-
Database identifiers
- CAS
138282-13-0
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 197
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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