5-Chloro-3-propyl-1,2,4-thiadiazole
Basic information
- CAS
89180-95-0- Standard SMILES
CCCc1nsc(Cl)n1- InChIKey
NGNBDHJCQHROEK-UHFFFAOYSA-N- Molecular formula
- C5H7ClN2S
- Average molar mass
- 162.64 g/mol
- Monoisotopic mass
- 162.0018471
Names & identifiers
- Preferred name
- 5-Chloro-3-propyl-1,2,4-thiadiazole
- IUPAC
- 5-chloro-3-propyl-1,2,4-thiadiazole
- English name
- 5-chloro-3-propyl-1,2,4-Thiadiazole
- Molecular formula
- C5H7ClN2S
- Molecular weight
- 162.64
Names & synonyms
5-Chloro-3-propyl-1,2,4-thiadiazole89180-95-0MFCD14707312SCHEMBL4442483PDA18095AKOS014320562DA-20397EN300-87247G408481,2,4-Thiadiazole, 5-chloro-3-propyl-
Database identifiers
- CAS
89180-95-0- PubChem CID
- 14763518
- EC Number
- 190-779-4
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91
Physicochemical properties
- Boiling point
- 248.5 · 248.5±23.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
- pka
- 0.36 · 0.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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