Kethoxal-bis-thiosemicarbazide (2507-91-7),Kethoxal-bis-thiosemicarbazide (2507-91-7) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Hydrazinecarbothioamide,2,2'-[1-(1-ethoxyethyl)-1,2-ethanediylidene]bis-
CAS No.:
2507-91-7
Molecular Structure:
Formula:
C8H16 N6 O S2
Molecular Weight:
276.42
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
Density:
1.41g/cm³
Boiling Point:
419.7°Cat760mmHg
Flash Point:
207.6°C
Safety Description:
Poison by intravenous route. Moderately toxic by intraperitoneal route. Human mutation data reported. When heated to decomposition it emits toxic fumes of SO_x and NO_x. Details

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Chemistry

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

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.

Safety Profile

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

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 .