Isothiazolidine, 2-(3-pentyl)-, 1,1-dioxide
Basic information
- CAS
73825-55-5- Standard SMILES
CCC(CC)N1CCCS1(=O)=O- InChIKey
BTEJLJKXIHVFBE-UHFFFAOYSA-N- Molecular formula
- C8H17NO2S
- Average molar mass
- 191.29 g/mol
- Monoisotopic mass
- 191.09799996
Names & identifiers
- Preferred name
- Isothiazolidine, 2-(3-pentyl)-, 1,1-dioxide
- IUPAC
- 2-pentan-3-yl-1,2-thiazolidine 1,1-dioxide
- English name
- 2-(1-Ethylpropyl)isothiazolidine 1,1-dioxide
- Molecular formula
- C8H17NO2S
- Molecular weight
- 191.29
Names & synonyms
73825-55-5ISOTHIAZOLIDINE, 2-(3-PENTYL)-, 1,1-DIOXIDE2-(3-Pentyl)isothiazolidine-1,1-dioxideNSC 221181Isothiazolidine, 2-(1-ethylpropyl)-, 1,1-dioxideDTXSID60224280RefChem:350132DTXCID60146771Isothiazolidine, 2-(1-ethylpropyl)-, 1,1-dioxide (9CI)NSC-221181NSC221181F2NRY9Q22W
Show more names
2-(1-Ethylpropyl)isothiazolidine 1,1-dioxide
WLN: T5NSWTJ AY2&22-(Pentan-3-yl)-1lambda~6~,2-thiazolidine-1,1-dione
Database identifiers
- CAS
73825-55-5- PubChem CID
- 52615
- DTXSID
DTXSID60224280- UNII
- F2NRY9Q22W
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- FDA UNII
- 2 NRY9Q22W · F2NRY9Q22W
- Comptox DTXSID
- 60224280 · DTXSID60224280
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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