Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate
Basic information
- CAS
54529-78-1- Standard SMILES
O=P(Nc1nncs1)(Oc1ccccc1)Oc1ccccc1- InChIKey
NDTXMFTXEMZGPD-UHFFFAOYSA-N- Molecular formula
- C14H12N3O3PS
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.03369942
Names & identifiers
- Preferred name
- Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidate
- IUPAC
- N-diphenoxyphosphoryl-1,3,4-thiadiazol-2-amine
Names & synonyms
54529-78-1NSC196587Diphenyl N-1,3,4-thiadiazol-2-ylphosphoramidateDTXSID00307920NSC-196587Diphenyl N-(1,3,4-thiadiazol-2-yl)phosphoramidate
Database identifiers
- CAS
54529-78-1- PubChem CID
- 304495
- DTXSID
DTXSID00307920
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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