Product Name

  • Name

    N-[(Aminocarbonyl)oxy]ethanimidothioic acid methyl ester

  • EINECS
  • CAS No. 16960-39-7
  • Density 1.29g/cm3
  • Solubility
  • Melting Point
  • Formula C4H8 N2 O2 S
  • Boiling Point 238.7°Cat760mmHg
  • Molecular Weight 148.186
  • Flash Point 98.1°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion. Moderately toxic by skin contact. Used as an insecticide. When heated to decomposition it emits very toxic fumes of SOx and NOx. See also ALDEHYDES.
  • Risk Codes
  • Molecular Structure Molecular Structure of 16960-39-7 (N-[(Aminocarbonyl)oxy]ethanimidothioic acid methyl ester)
  • Hazard Symbols
  • Synonyms Acetimidicacid, N-(carbamoyloxy)thio-, methyl ester (8CI); Du Pont 1642; EI 1642; MethylN-(carbamoyloxy)thioacetimidate; Methyl O-(carbamyl)thiolacetohydroxamate;Methyl O-carbamoylthiolacetohydroxamate; S-MethylN-(carbamoyloxy)thioacetimidate
  • PSA 90.97000
  • LogP 1.29190

Methyl N-(carbamoyloxy)thioacetimidate Chemical Properties

Molecule structure of Methyl N-(carbamoyloxy)thioacetimidate (CAS NO.16960-39-7):

IUPAC Name: Methyl (1Z)-N-carbamoyloxyethanimidothioate 
Molecular Weight: 148.18352 g/mol
Molecular Formula: C4H8N2O2S 
Density: 1.29 g/cm3 
Boiling Point: 238.7 °C at 760 mmHg 
Flash Point: 98.1 °C
Index of Refraction: 1.533
Molar Refractivity: 35.62 cm3
Molar Volume: 114.7 cm3
Polarizability: 14.12×10-24 cm3
Surface Tension: 43.7 dyne/cm 
Enthalpy of Vaporization: 47.55 kJ/mol
Vapour Pressure: 0.0419 mmHg at 25 °C
XLogP3: 0.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 148.030648
MonoIsotopic Mass: 148.030648
Topological Polar Surface Area: 64.7
Heavy Atom Count: 9
Complexity: 135
Canonical SMILES: CC(=NOC(=O)N)SC
Isomeric SMILES: C/C(=N/OC(=O)N)/SC
InChI: InChI=1S/C4H8N2O2S/c1-3(9-2)6-8-4(5)7/h1-2H3,(H2,5,7)/b6-3-
InChIKey of Methyl N-(carbamoyloxy)thioacetimidate (CAS NO.16960-39-7): VCFUBFMWDABVJZ-UTCJRWHESA-N

Methyl N-(carbamoyloxy)thioacetimidate Toxicity Data With Reference

1.    

orl-rat LDLo:60 mg/kg

     28ZEAL    Pesticide Index. 5 (1976),104.
2.    

skn-rbt LDLo:3400 mg/kg

     28ZEAL    Pesticide Index. 5 (1976),104.

Methyl N-(carbamoyloxy)thioacetimidate Safety Profile

Poison by ingestion. Moderately toxic by skin contact. Used as an insecticide. When heated to decomposition it emits very toxic fumes of SOx and NOx. See also ALDEHYDES.

Methyl N-(carbamoyloxy)thioacetimidate Specification

 Methyl N-(carbamoyloxy)thioacetimidate (CAS NO.16960-39-7) is also named as AI3-27411 ; BRN 2960550 ; Du Pont 1642 ; Dupont insecticide 1642 ; EI-1642 ; ENT-27,411 ; Ethanimidothioic acid, N-((aminocarbonyl)oxy)-, methyl ester ; NSC 191001 ; Acetaldehyde, methylthio-, O-(carbamoyl)oxime .

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