Basic information
- CAS
3739-70-6- Standard SMILES
C1CN(c2nnns2)CCO1- InChIKey
GRRGMQBIAJCOBQ-UHFFFAOYSA-N- Molecular formula
- C5H8N4OS
- Average molar mass
- 172.21 g/mol
- Monoisotopic mass
- 172.04188206
Names & identifiers
- Preferred name
- 5-Morpholino-1,2,3,4-thiatriazole
- IUPAC
- 4-(thiatriazol-5-yl)morpholine
- English name
- 5-morpholino-1,2,3,4-thiatriazole
- Molecular formula
- C5H8N4OS
- Molecular weight
- 172.20822
Names & synonyms
3739-70-65-Morpholino-1,2,3,4-thiatriazole4-(1,2,3,4-thiatriazol-5-yl)morpholineEINECS 223-124-92SQ7BWK4K6SCHEMBL3361455DTXSID70190826GRRGMQBIAJCOBQ-UHFFFAOYSA-NNS00045180Morpholine, 4-(1,2,3,4-thiatriazol-5-yl)-
Database identifiers
- CAS
3739-70-6- PubChem CID
- 77334
- DTXSID
DTXSID70190826- UNII
- 2SQ7BWK4K6
- EC Number
- 223-124-9
- Nikkaji
- J205.643G
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
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, P317, 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
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…