5-(3,4-dihydro-2H-1-benzopyran-4-yl)-1,3,4-thiadiazol-2-amine
Basic information
- CAS
1342905-79-6- Standard SMILES
Nc1nnc(C2CCOc3ccccc32)s1- InChIKey
MDSGPZNCMYFUSM-UHFFFAOYSA-N- Molecular formula
- C11H11N3OS
- Average molar mass
- 233.29 g/mol
- Monoisotopic mass
- 233.06228316
Names & identifiers
- Preferred name
- 5-(3,4-dihydro-2H-1-benzopyran-4-yl)-1,3,4-thiadiazol-2-amine
- IUPAC
- 5-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-thiadiazol-2-amine
Names & synonyms
5-(3,4-dihydro-2H-1-benzopyran-4-yl)-1,3,4-thiadiazol-2-amine1342905-79-6RefChem:529691980-717-15-(3,4-dihydro-2H-chromen-4-yl)-1,3,4-thiadiazol-2-amineAKOS013020511EN300-178815Z1148255355
Database identifiers
- CAS
1342905-79-6- PubChem CID
- 63710125
- EC Number
- 980-717-1
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 253
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%)
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Compound notes
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