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Name |
Methyl N-(carbamoyloxy)thioacetimidate |
EINECS | N/A |
CAS No. | 16960-39-7 | Density | 1.29g/cm3 |
PSA | 90.97000 | LogP | 1.29190 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H8 N2 O2 S | Boiling Point | 238.7°Cat760mmHg |
Molecular Weight | 148.186 | Flash Point | 98.1°C |
Transport Information | N/A | Appearance | N/A |
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 | N/A |
Molecular Structure | Hazard Symbols | N/A | |
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 |
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
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. |
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 (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 .