Basic information
- CAS
1007462-62-5- Standard SMILES
O=C(CCCl)N1CCS(=O)CC1- InChIKey
LHRRZVSAWCTNLE-UHFFFAOYSA-N- Molecular formula
- C7H12ClNO2S
- Average molar mass
- 209.69 g/mol
- Monoisotopic mass
- 209.0277275
Names & identifiers
- Preferred name
- Thiomorpholine, 4-(3-chloro-1-oxopropyl)-, 1-oxide
- IUPAC
- 3-chloro-1-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
- English name
- 3-Chloro-1-(1-oxo-thiomorpholin-4-yl)-propan-1-one
- Molecular weight
- 0
Names & synonyms
LHRRZVSAWCTNLE-UHFFFAOYSA-NAKOS010818191Thiomorpholine, 4-(3-chloro-1-oxopropyl)-, 1-oxide3-CHLORO-1-(1-OXO-THIOMORPHOLIN-4-YL)-PROPAN-1-ONE
Database identifiers
- CAS
1007462-62-5- PubChem CID
- 4101469
- EC Number
- 151-478-3
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 188
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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