Basic information
- CAS
1082550-30-8- Standard SMILES
Nc1nc(N2CCCC2)ns1- InChIKey
FBNDUFVKIUSZFE-UHFFFAOYSA-N- Molecular formula
- C6H10N4S
- Average molar mass
- 170.24 g/mol
- Monoisotopic mass
- 170.06261751
Names & identifiers
- Preferred name
- 3-(Pyrrolidin-1-yl)-1,2,4-thiadiazol-5-amine
- IUPAC
- 3-pyrrolidin-1-yl-1,2,4-thiadiazol-5-amine
Names & synonyms
3-(pyrrolidin-1-yl)-1,2,4-thiadiazol-5-amine1082550-30-8AKOS011383272
Database identifiers
- CAS
1082550-30-8- PubChem CID
- 28908331
- EC Number
- 180-314-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 137
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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