-
Name
tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate
- EINECS
- CAS No. 100836-63-3
- Density 1.17g/cm3
- Solubility
- Melting Point
- Formula C9H16 N2 O2 S
- Boiling Point 284.2°Cat760mmHg
- Molecular Weight 216.304
- Flash Point 125.7°C
- Transport Information
- Appearance
- Safety Poison by ingestion and intravenous routes. See also CARBAMATES. When heated to decomposition it emits very toxic fumes of NOx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate
- PSA 67.20000
- LogP 1.89400
tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate Chemical Properties
IUPAC Name: tert-Butyl (NE)-N-(3-methyl-1,3-thiazolidin-2-ylidene)carbamate
Following is the structure of tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate (CAS NO.100836-63-3):
Empirical Formula: C9H16N2O2S
Molecular Weight: 216.3005 g/mol
Surface Tension: 38.548 dyne/cm
Density: 1.171 g/cm3
Flash Point: 125.679 °C
Enthalpy of Vaporization: 52.317 kJ/mol
Boiling Point: 284.198 °C at 760 mmHg
Vapour Pressure: 0.003 mmHg at 25 °C
Index of Refraction of tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate (CAS NO.100836-63-3): 1.544
Canonical SMILES: CC(C)(C)OC(=O)N=C1N(CCS1)C
Isomeric SMILES: CC(C)(C)OC(=O)/N=C/1\N(CCS1)C
InChI: InChI=1S/C9H16N2O2S/c1-9(2,3)13-8(12)10-7-11(4)5-6-14-7/h5-6H2,1-4H3/b10-7+
InChIKey: KMRYLCHANUSCLD-JXMROGBWSA-N
tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate Toxicity Data With Reference
| 1. | orl-mus LD50:306 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),773. | ||
| 2. | ivn-mus LD50:68 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),773. |
tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate Safety Profile
Poison by ingestion and intravenous routes. See also CARBAMATES. When heated to decomposition, tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate (CAS NO.100836-63-3) emits very toxic fumes of NOx and SOx.
tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate Specification
tert-Butyl N-(3-methyl-2-thiazolidinylidene)carbamate , its cas register number is 100836-63-3. It also can be called Carbamic acid, N-(3-methyl-2-thiazolidinylidene)-, tert-butyl ester . Its classification code is Drug / Therapeutic Agent.
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