Basic information
- CAS
25658-72-4- Standard SMILES
O=c1[nH]sc(Cl)c1Cl- InChIKey
CHOQQUKTKZBUOG-UHFFFAOYSA-N- Molecular formula
- C3HCl2NOS
- Average molar mass
- 170.02 g/mol
- Monoisotopic mass
- 168.9155902
Names & identifiers
- Preferred name
- 3(2H)-Isothiazolone, 4,5-dichloro-
- IUPAC
- 4,5-dichloro-1,2-thiazol-3-one
Names & synonyms
25658-72-43(2H)-Isothiazolone, 4,5-dichloro-DTXSID20337441RefChem:269468DTXCID602885294,5-Dichloro-3-hydroxyisothiazole4,5-dichloro-1,2-thiazol-3-one4,5-Dichloro-3(2H)-isothiazoloneB7HWX244FH4,5-Dichloro-3-isothiazololSCHEMBL5085794SCHEMBL9637442
Show more names
4,5-Dichloro-3(2H)-isothiazolone #Isothiazol-3(2H)-one, 4,5-dichloro-4,5-Dichloro-1,2-thiazol-3(2H)-oneDB-067442
Database identifiers
- CAS
25658-72-4- PubChem CID
- 542736
- DTXSID
DTXSID20337441- UNII
- B7HWX244FH
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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