5-(Cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
Basic information
- CAS
299937-30-7- Standard SMILES
Nc1nnc(CC2CC2)s1- InChIKey
WBXJSQZWPQDHJY-UHFFFAOYSA-N- Molecular formula
- C6H9N3S
- Average molar mass
- 155.22 g/mol
- Monoisotopic mass
- 155.05171847
Names & identifiers
- Preferred name
- 5-(Cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
Names & synonyms
5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amineRefChem:531089860-050-1299937-30-75-Cyclopropylmethyl-[1,3,4]thiadiazol-2-ylamine1,3,4-Thiadiazol-2-amine, 5-(cyclopropylmethyl)-SCHEMBL5458289DTXSID00356115WBXJSQZWPQDHJY-UHFFFAOYSA-NZLA93730MFCD03085853AKOS010824963
Show more names
AT41286SY318399DB-107174EN300-12590042-Amino-5-(cyclopropylmethyl)-1,3,4-thiadiazoleF986235Z826525446
Database identifiers
- CAS
299937-30-7- PubChem CID
- 819786
- DTXSID
DTXSID00356115- EC Number
- 860-050-1
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…