1,2,5-Thiadiazole
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Basic information
- CAS
288-39-1- Standard SMILES
c1cnsn1- InChIKey
UDGKZGLPXCRRAM-UHFFFAOYSA-N- Molecular formula
- C2H2N2S
- Average molar mass
- 86.12 g/mol
- Monoisotopic mass
- 85.99386925
Overview
1,2,5-thiadiazole is a thiadiazole.
Names & identifiers
- Preferred name
- 1,2,5-Thiadiazole
- IUPAC
- 1,2,5-thiadiazole
- English name
- 1,2,5-Thiadiazoles
- Molecular formula
- C2H2N2S
- Molecular weight
- 86.12
Names & synonyms
1,2,5-Thiadiazole288-39-12,1,3-ThiadiazoleCHEBI:39469DTXSID10182982RefChem:71570DTXCID50105473UDGKZGLPXCRRAM-UHFFFAOYSA-NSCHEMBL7610SCHEMBL27767SCHEMBL413531SCHEMBL1416296
Show more names
1,2,5-Thiadiazoles
Q27120283
Database identifiers
- CAS
288-39-1- PubChem CID
- 559537
- DTXSID
DTXSID10182982- ChEBI
CHEBI:39469- Nikkaji
- J580.376D
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 26.8
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -50.1 °C · -50.1°C
- Boiling point
- 94 °C · 94°C
- Density
- 1.268 · 1.2680
- refractive index
- 1.515 · 1.5150 (estimate)
- form
- liquid
Chemistry & industry
Additional notes
DefinitionChEBI: 1,2,5-thiadiazole is a thiadiazole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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