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55511-98-3

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Basic Information
CAS No.: 55511-98-3
Name: BUTHIDAZOLE
Article Data: 13
Molecular Structure:
Molecular Structure of 55511-98-3 (BUTHIDAZOLE)
Formula: C10H16N4O2S
Molecular Weight: 256.329
Synonyms: 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4RS)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;Ravage;3-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-4-hydroxy-1-methyl-2-imidazolidinone;VEL-5026;Caswell No. 721A;rac-(4R)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;EINECS 259-685-1;Buthiazole;
Density: 1.2740 (rough estimate)
Melting Point: 133.5°C
Boiling Point: 398.1±52.0 °C(Predicted)
Solubility: 3.388g/L(25 oC)
Safety: Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
PSA: 97.80000
LogP: 1.02870
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Chemistry

Molecule structure of Ravage (CAS NO.55511-98-3) :

IUPAC Name: 3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one 
Molecular Weight: 256.32464 g/mol
Molecular Formula: C10H16N4O2S 
Density: 1.341 g/cm3 
Boiling Point: 398.1 °C at 760 mmHg 
Flash Point: 194.5 °C
Index of Refraction: 1.593
Molar Refractivity: 64.79 cm3
Molar Volume: 191.1 cm3
Polarizability: 25.68×10-24 cm3
Surface Tension: 62.7 dyne/cm
Enthalpy of Vaporization: 68.4 kJ/mol
Vapour Pressure: 4.73E-07 mmHg at 25 °C
XLogP3-AA: 1
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 256.099396
MonoIsotopic Mass: 256.099396
Topological Polar Surface Area: 69.6
Heavy Atom Count: 17
Complexity: 320
Canonical SMILES: CC(C)(C)C1=NN=C(S1)N2C(CN(C2=O)C)O
InChI: InChI=1S/C10H16N4O2S/c1-10(2,3)7-11-12-8(17-7)14-6(15)5-13(4)9(14)16/h6,15H,5H2,1-4H3
InChIKey: SWMGXKSQWDSBKV-UHFFFAOYSA-N
EINECS of Ravage (CAS NO.55511-98-3) : 259-685-1

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1542mg/kg (1542mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 2, Pg. 102, 1977.

Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.

Specification

 Ravage (CAS NO.55511-98-3) is also called 1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl-2-imidazolidinone ; 2-Imidazolidinone, 3-(5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methyl- ; 3-(5-tert-Butyl-1,3,4-thiazol-2-yl)-4-hydroxy-1-methyl-2-imidazolidinone ; BRN 0619408 ; Buthiazole ; Buthidazole ; Buthidazole [ANSI] ; Caswell No. 721A ; EPA Pesticide Chemical Code 115901 ; VEL-5026 .