Diisopropylthiocarbamic Acid S-[(E)-2,3-Dichloroallyl] Ester
[CAS# 17708-58-6]

Identification

• Name: Diisopropylthiocarbamic Acid S-[(E)-2,3-Dichloroallyl] Ester
• Synonyms: S-[(E)-2,3-Dichloroprop-2-Enyl] (Diisopropylamino)Methanethioate; (Diisopropylamino)Methanethioic Acid S-[(E)-2,3-Dichloroprop-2-Enyl] Ester; Carbamic Acid, Diisopropylthio-, S-(2,3-Dichloroallyl) Ester, (E)-
• Molecular Formula: C₁₀H₁₇Cl₂NOS
• Molecular Weight: 270.22
• CAS Registry Number: 17708-58-6
• SMILES: C(SC(=O)N(C(C)C)C(C)C)\C(Cl)=C/Cl
• InChI: 1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5+
• InChIKey: SPANOECCGNXGNR-WEVVVXLNSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 306.0±52.0°C at 760 mmHg (Cal.)
• Flash point: 138.9±30.7°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493