Basic information
- CAS
68480-30-8- Standard SMILES
CCCCCCCCn1sccc1=O.Cl- InChIKey
DPGJMCSIMCJAOO-UHFFFAOYSA-N- Molecular formula
- C11H20ClNOS
- Average molar mass
- 249.8 g/mol
- Monoisotopic mass
- 249.0954131
Names & identifiers
- Preferred name
- 3(2H)-Isothiazolone, 2-octyl-, hydrochloride (1:1)
- IUPAC
- 2-octyl-1,2-thiazol-3-one;hydrochloride
Names & synonyms
3(2H)-Isothiazolone, 2-octyl-, hydrochloride (1:1)RefChem:4847673(2H)-Isothiazolone, 2-octyl-, hydrochloride68480-30-82-Octyl-2H-isothiazol-3-one hydrochlorideOcthilinone hydrochlorideSCHEMBL9129130DTXSID2071574DPGJMCSIMCJAOO-UHFFFAOYSA-NEINECS 270-908-1NS000912462-n-Octyl-4-isothiazolin-3-one, hydrochloride
Show more names
2-Octyl-1,2-thiazol-3(2H)-one--hydrogen chloride (1/1)
Database identifiers
- CAS
68480-30-8- PubChem CID
- 110375
- DTXSID
DTXSID2071574- EC Number
- 270-908-1
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3(2H)-Isothiazolone, 2-octyl-, hydrochloride (1:1): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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