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Name |
N-Ethyl-N'-(3-methyl-2-thiazolidinylidene)urea |
EINECS | N/A |
CAS No. | 73696-65-8 | Density | 1.274g/cm3 |
PSA | 70.00000 | LogP | 1.07930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H13 N3 O S | Boiling Point | N/A |
Molecular Weight | 187.266 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by ingestion. Moderately toxic by intravenous route. When heated to decomposition it emits very toxic fumes of SOx and NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Urea,ethyl(3-methyl-2-thiazolidinylidene)- (9CI) |
IUPAC Name: (3E)-1-ethyl-3-(3-methyl-1,3-thiazolidin-2-ylidene)urea
Empirical Formula: C7H13N3OS
Molecular Weight: 187.2626g/mol
Index of Refraction: 1.605
XLogP3-AA: 0.7
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 187.077933
MonoIsotopic Mass: 187.077933
Topological Polar Surface Area: 44.7
Heavy Atom Count: 12
Formal Charge: 0
Complexity: 205
Molar Refractivity: 50.61 cm3
Molar Volume: 146.948 cm3
Polarizability: 20.063 10-24cm3
Surface Tension: 46.435 dyne/cm
Density: 1.274 g/cm3
Canonical SMILES: CCNC(=O)N=C1N(CCS1)C
Isomeric SMILES: CCNC(=O)/N=C/1\N(CCS1)C
InChI: InChI=1S/C7H13N3OS/c1-3-8-6(11)9-7-10(2)4-5-12-7/h3-5H2,1-2H3,(H,8,11)/b9-7+
InChIKey: MIDJYCDZEYLUAF-VQHVLOKHSA-N
Structure of N-Ethyl-N'-(3-methyl-2-thiazolidinylidene)urea (CAS NO.73696-65-8):
1. | orl-mus LD50:203 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),773. | ||
2. | ivn-mus LD50:1110 mg/kg | JMCMAR Journal of Medicinal Chemistry. 23 (1980),773. |
Poison by ingestion. Moderately toxic by intravenous route. When heated to decomposition it emits very toxic fumes of SOx and NOx.
N-Ethyl-N'-(3-methyl-2-thiazolidinylidene)urea , its cas register number is 73696-65-8. It also can be called BRN 5933759 ; Urea, 1-ethyl-3-(3-methyl-2-thiazolidinylidene)- .When heated to decomposition it emits very toxic fumes of SOx and NOx.