5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine
Basic information
- CAS
41248-08-2- Standard SMILES
CN(C)c1nsc(Cl)n1- InChIKey
CUTXHPVVEVMARX-UHFFFAOYSA-N- Molecular formula
- C4H6ClN3S
- Average molar mass
- 163.63 g/mol
- Monoisotopic mass
- 162.9970961
Names & identifiers
- Preferred name
- 5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine
- IUPAC
- 5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine
- English name
- 5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine
- Molecular formula
- C4H6ClN3S
- Molecular weight
- 163.63
Names & synonyms
5-chloro-N,N-dimethyl-1,2,4-thiadiazol-3-amine41248-08-2RefChem:102364972-583-8MFCD21185967SCHEMBL8806586DTXSID201247518RBA24808AKOS014603414DA-06020LS-11337CS-0332378
Show more names
1,2,4-Thiadiazol-3-amine, 5-chloro-N,N-dimethyl-
Database identifiers
- CAS
41248-08-2- PubChem CID
- 14763520
- DTXSID
DTXSID201247518- EC Number
- 972-583-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 99.8
Physicochemical properties
- Boiling point
- 239.1 · 239.1±23.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- pka
- 1.77 · 1.77±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.
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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