Thioacetic Acid S-[4-[Bis(2-Chloroethyl)Amino]Phenyl] Ester
[CAS# 1507-07-9]

Identification

• Name: Thioacetic Acid S-[4-[Bis(2-Chloroethyl)Amino]Phenyl] Ester
• Synonyms: Ethanethioic Acid S-[4-[Bis(2-Chloroethyl)Amino]Phenyl] Ester; 4-13-00-01315 (Beilstein Handbook Reference); Acetic Acid, Thio-, S-Ester With 4-(Bis(2-Chloroethyl)Amino)Benzene Thiol
• Molecular Formula: C₁₂H₁₅Cl₂NOS
• Molecular Weight: 292.22
• CAS Registry Number: 1507-07-9
• SMILES: C1=CC(=CC=C1SC(C)=O)N(CCCl)CCCl
• InChI: 1S/C12H15Cl2NOS/c1-10(16)17-12-4-2-11(3-5-12)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3
• InChIKey: GVROKRSHIHCKSO-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)
• Boiling point: 420.44°C at 760 mmHg (Cal.)
• Flash point: 208.075°C (Cal.)