5-Chloro-3-ethyl-1,2,4-thiadiazole
Basic information
- CAS
101258-23-5- Standard SMILES
CCc1nsc(Cl)n1- InChIKey
NWPLNDNOAIZDHV-UHFFFAOYSA-N- Molecular formula
- C4H5ClN2S
- Average molar mass
- 148.61 g/mol
- Monoisotopic mass
- 147.986197
Names & identifiers
- Preferred name
- 5-Chloro-3-ethyl-1,2,4-thiadiazole
- IUPAC
- 5-chloro-3-ethyl-1,2,4-thiadiazole
- English name
- 5-Chloro-3-ethyl-1,2,4-thiadiazole
- Molecular formula
- C4H5ClN2S
- Molecular weight
- 148.61
Names & synonyms
5-CHLORO-3-ETHYL-1,2,4-THIADIAZOLE101258-23-5DTXSID30563759RefChem:302490DTXCID40514535971-363-9MFCD097438971,2,4-Thiadiazole, 5-chloro-3-ethyl-SCHEMBL1713593BEA25823AKOS006331686SY197235
Show more names
EN300-87245
Database identifiers
- CAS
101258-23-5- PubChem CID
- 14763517
- DTXSID
DTXSID30563759- EC Number
- 971-363-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.4
Physicochemical properties
- Melting point
- -18 °C · -18 °C
- Boiling point
- 60 °C · 60 °C(Press: 17 Torr)
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- 0.24 · 0.24±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Upstream & downstream products
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Compound notes
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