Basic information
- CAS
13894-16-1- Standard SMILES
O=S1(=O)CC(Cl)C(Sc2ccc(Cl)cc2)C1- InChIKey
NWPMWWNEXNOQGK-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O2S2
- Average molar mass
- 297.2 g/mol
- Monoisotopic mass
- 295.9499273
Names & identifiers
- Preferred name
- 3-Chloro-4-(4-chlorophenyl)sulfanylthiolane 1,1-dioxide
- IUPAC
- 3-chloro-4-(4-chlorophenyl)sulfanylthiolane 1,1-dioxide
- English name
- 3-CHLORO-4-[(4-CHLOROPHENYL)THIO]TETRAHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE
- Molecular formula
- C10H10Cl2O2S2
- Molecular weight
- 297.22
Names & synonyms
13894-16-13-chloro-4-(4-chlorophenyl)sulfanylthiolane 1,1-dioxide3-Chloro-4-((4-chlorophenyl)thio)tetrahydrothiophene 1,1-dioxide3-Chloro-4-[(4-chlorophenyl)thio]tetrahydro-1H-1lambda6-thiophene-1,1-dione3-chloro-4-[(4-chlorophenyl)thio]thiolane 1,1-dioxideDTXSID503963493-Chloro-4-[(4-chlorophenyl)sulfanyl]-1lambda~6~-thiolane-1,1-dioneTRANS-4-CHLORO-3-(4-CHLOROPHENYLTHIO)-1,1-DIOXOTETRAHYDROTHIOPHENE3-Chloro-4-[(4-chlorophenyl)thio]tetrahydro-1H-1lambda6-yhiophene-1,1-dione3-chloro-4-[(4-chlorophenyl)thio]tetrahydro-1h-1lambdamu~-thiophene-1,1-dione3-chloro-4-[(4-chlorophenyl)-thio]-tetrahydro-1H-1laMbda~6~-thiophen-1,1-dioneThiophene, 3-chloro-4-[(p-chlorophenyl)thio]tetrahydro-, 1,1-dioxide, trans- (8CI)
Database identifiers
- CAS
13894-16-1- PubChem CID
- 3782467
- DTXSID
DTXSID50396349
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 82 °C · 82 °C
- Boiling point
- 516.6 · 516.6±50.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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