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Kethoxal-bis-thiosemicarbazide

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Name

Kethoxal-bis-thiosemicarbazide

EINECS
CAS No. 2507-91-7 Density 1.41g/cm3
Solubility Melting Point
Formula C8H16 N6 O S2 Boiling Point 419.7°Cat760mmHg
Molecular Weight 276.42 Flash Point 207.6°C
Transport Information Appearance
Safety Poison by intravenous route. Moderately toxic by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx. Risk Codes
Molecular Structure Molecular Structure of 2507-91-7 (Hydrazinecarbothioamide,2,2'-[1-(1-ethoxyethyl)-1,2-ethanediylidene]bis-) Hazard Symbols
Synonyms

Butyraldehyde,3-ethoxy-2-oxo-, bis(thiosemicarbazone) (6CI,7CI,8CI); (1-Ethoxyethyl)glyoxalbis(thiosemicarbazone); 3-Ethoxy-2-oxobutyraldehyde bis(thiosemicarbazone);356C61; BW 356C61; Contrapar; Gloxazon; Gloxazone; KTS; KTS (pharmaceutical);NSC 82116; U 7726; W 9; WR 9838; a-Ethoxyethylglyoxal dithiosemicarbazone

 

Kethoxal-bis-thiosemicarbazide Chemical Properties

Molecular Structure of Kethoxal-bis-thiosemicarbazide (CAS NO. 2507-91-7):

EINECS: 219-715-6
IUPAC Name: [[1-(Carbamothioylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]thiourea 
Molecular Formula: C8H16N6OS2
Molecular Weight: 276.382240 g/mol
XLogP3-AA: -0.1
H-Bond Donor: 4
H-Bond Acceptor: 3
Canonical SMILES: CCOC(C)C(=NNC(=S)N)C=NNC(=S)N
InChI: InChI=1S/C8H16N6OS2/c1-3-15-5(2)6(12-14-8(10)17)4-11-13-7(9)16/h4-5H,3H2,1-2H3,(H3,9,13,16)(H3,10,14,17)
InChIKey: ARIFZLJIERKKEL-UHFFFAOYSA-N
Index of Refraction: 1.645
Molar Refractivity: 71.12 cm3
Molar Volume: 196 cm3
Surface Tension: 48.8 dyne/cm
Density: 1.41 g/cm3
Flash Point: 207.6 °C
Enthalpy of Vaporization: 67.35 kJ/mol
Boiling Point: 419.7 °C at 760 mmHg
Vapour Pressure: 2.97E-07 mmHg at 25 °C
Water Solubility: 862.5 mg/L at 25 °C
BRN of Kethoxal-bis-thiosemicarbazide (CAS NO. 2507-91-7): 1915287

Kethoxal-bis-thiosemicarbazide Toxicity Data With Reference

1.    

dni-hmn:hla 59 µmol/L

    MUREAV    Mutation Research. 92 (1982),427.
2.    

ivn-rat LD50:182 mg/kg

    CHTHBK    Chemotherapy. 13 (1968),339.
3.    

ipr-mus LDLo:1000 mg/kg

    CNCRA6    Cancer Chemotherapy Reports. 30 (1963),9.

Kethoxal-bis-thiosemicarbazide Safety Profile

Poison by intravenous route. Moderately toxic by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of SOx and NOx.

Kethoxal-bis-thiosemicarbazide Specification

  Kethoxal-bis-thiosemicarbazide with cas registry number of 2507-91-7 is also called for (1-Ethoxyethyl)glyoxal bis(thiosemicarbazone) ; 1,1'-((1-Ethoxyethyl)ethanediylidene)bis(3-thiosemicarbazide) ; 2-Keto-3-ethoxy-butyraldehyde-bis(thiosemicarbazone) ; 3-Ethoxy-2-oxobutyraldehyde bis(thiosemicarbazone) ; AI3-51304 ; B. W. 356-C-61 ; B.W. 356-C-61 ; BW 356C61 ; Butyraldehyde, 3-ethoxy-2-oxo-, bis(thiosemicarbazone) ; Contrapar ; Gloxazone ; Gloxazone [USAN:INN:BAN] ; Gloxazon ; Gloxazona ; Gloxazona [INN-Spanish] ; Gloxazonum ; Gloxazonum [INN-Latin] ; Hydrazinecarbothioamide, 2,2'-(1-(1-ethoxyethyl)-1,2-ethanediylidene)bis ; Hydrazinecarbothioamide, 2,2'-(1-(1-ethoxyethyl)-1,2-ethanediylidene)bis- ; KC 1331 ; KTS (pharmaceutical) ; Kethoxal bis(thiosemicarbazone) ; NSC 82116 ; NSC-82116 ; Semicarbazide, 1,1'-((1-ethoxyethyl)ethanediylidene)bis(3-thio- ; U 7726 ; U-7726 ; U7726 ; UNII-OP8B49OL1J ; WR 9838 ; alpha-Ethoxyethylglyoxal dithiosemicarbazone .

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