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| CAS No.: | 631-67-4 |
|---|---|
| Name: | N,N-DIMETHYLTHIOACETAMIDE |
| Article Data: | 30 |
| Molecular Structure: | |
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|
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| Formula: | C4H9 N S |
| Molecular Weight: | 103.188 |
| Synonyms: | Acetamide,N,N-dimethylthio- (6CI,7CI,8CI); Dimethylthioacetamide;N,N-Dimethylthioacetamide |
| Density: | 0.966 |
| Melting Point: | 71-73°C |
| Boiling Point: | 125-127°C 22mm |
| Flash Point: | 125-127°C/22mm |
| Risk Codes: | 36/37/38 |
| Safety: | Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx. |
| PSA: | 35.33000 |
| LogP: | 0.89530 |
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Chemistry
Molecule structure of N,N-Dimethylthioacetamide (CAS NO.631-67-4):
IUPAC Name: N,N-Dimethylethanethioamide
Molecular Weight: 103.18596 g/mol
Molecular Formula: C4H9NS
Density: 0.966 g/cm3
Melting Point: 71-73 °C
Boiling Point: 104.4 °C at 760 mmHg
Flash Point: 17 °C
Index of Refraction: 1.503
Molar Refractivity: 31.59 cm3
Molar Volume: 106.8 cm3
Polarizability: 12.52×10-24 cm3
Surface Tension: 37 dyne/cm
Enthalpy of Vaporization: 34.35 kJ/mol
Vapour Pressure: 30.8 mmHg at 25 °C
XLogP3-AA: 0.3
Exact Mass: 103.04557
MonoIsotopic Mass: 103.04557
Topological Polar Surface Area: 3.2
Heavy Atom Count: 6
Complexity: 58.6
Canonical SMILES: CC(=S)N(C)C
InChI: InChI=1S/C4H9NS/c1-4(6)5(2)3/h1-3H3
InChIKey: LKNQXZAHNDFIQY-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-mus LD50:500 mg/kg | AEPPAE Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 233 (1958),376. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
Specification
N,N-Dimethylthioacetamide (CAS NO.631-67-4) is also named as 4-04-00-00182 (Beilstein Handbook Reference) ; BRN 1737685 ; Dimethylthioacetamid ; Dimethylthioacetamid [German] ; Dimethylthioacetamide ; N,N-Dimethylethanethioamide ;
Acetamide, N,N-dimethylthio- ; Ethanethioamide, N,N-dimethyl- .