Fluthiacet-methyl supplier | CasNO.117337-19-6

Name
Methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate
EINECS
CAS No. 117337-19-6
Density 1.57 g/cm³
Solubility Soly in water at 29°: 0.64 mg/l
Melting Point 106°C
Formula C₁₅H₁₅ClFN₃O₃S₂
Boiling Point 503.5 °C at 760 mmHg
Molecular Weight 403.8793
Flash Point 258.3 °C
Transport Information
Appearance White powder
Safety 26-61
Risk Codes 36-50
Molecular Structure
Hazard Symbols Xi,N
Synonyms Acetic acid,[[2-chloro-4-fluoro-5-[(tetrahydro-3-oxo-1H,3H-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]thio]-,methyl ester (9CI);Action;Appeal;Blizzard;CGA 248757;Fluthiacet-methyl;KIH 9201;
PSA 119.13000
LogP 2.79510

Fluthiacet-methyl Specification

The Fluthiacet-methyl, with CAS registry number 117337-19-6, has the systematic name of methyl [(2-chloro-4-fluoro-5-{[(1Z)-3-oxotetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene]amino}phenyl)sulfanyl]acetate. And this chemical should be stored at the temperature of 0-6°C.

Physical properties of Fluthiacet-methyl: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.88; (6)ACD/BCF (pH 7.4): 6.88; (7)ACD/KOC (pH 5.5): 138.41; (8)ACD/KOC (pH 7.4): 138.41; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 112.81 Å²; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 97.99 cm³; (15)Molar Volume: 256.2 cm³; (16)Polarizability: 38.84×10^-24cm³; (17)Surface Tension: 58.3 dyne/cm; (18)Enthalpy of Vaporization: 77.27 kJ/mol; (19)Vapour Pressure: 2.9E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CSc3cc(/N=C1\SC(=O)N2N1CCCC2)c(F)cc3Cl
(2)InChI: InChI=1/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3/b18-14-
(3)InChIKey: ZCNQYNHDVRPZIH-JXAWBTAJBF
(4)Std. InChI: InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3/b18-14-
(5)Std. InChIKey: ZCNQYNHDVRPZIH-JXAWBTAJSA-N

Product Name

Methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate

Fluthiacet-methyl Specification

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