Way 120744
Basic information
- CAS
127810-07-5- Standard SMILES
O=S1N=C(Cc2ccc3c(Cl)cccc3c2)NO1- InChIKey
AFSHNJLKCYAWRX-UHFFFAOYSA-N- Molecular formula
- C12H9ClN2O2S
- Average molar mass
- 280.73 g/mol
- Monoisotopic mass
- 280.0073264
Overview
structure given in first source
Names & identifiers
- Preferred name
- Way 120744
- IUPAC
- 4-[(5-chloronaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide
Names & synonyms
127810-07-5Way 120744Way-120,744WAY-120744RefChem:1947754-((5-Chloronaphthalen-2-yl)methyl)-3H-1,2,3,5-oxathiadiazole 2-oxide4-[(5-chloronaphthalen-2-yl)methyl]-5H-1,2,3,5-oxathiadiazole 2-oxide3H-1,2,3,5-Oxathiadiazole, 4-((5-chloro-2-naphthalenyl)methyl)-, 2-oxideAFSHNJLKCYAWRX-UHFFFAOYSA-NCHEMBL83217orb1694880SCHEMBL5354374
Show more names
SCHEMBL10392255DTXSID20925988AKOS040754399HY-123437T351084-[(5-Chloro-2-naphthalenyl)methyl]-3H-1,2,3,5-oxathiadiazole 2-Oxide4-[(5-Chloronaphthalen-2-yl)methyl]-1,2lambda~4~,3,5-oxathiadiazol-2(3H)-one
Database identifiers
- CAS
127810-07-5- PubChem CID
- 124456
- DTXSID
DTXSID20925988- ChEMBL
CHEMBL83217- Nikkaji
- J571.911I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…