Thiotepa
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Thiotepa
structure -
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CAS No:
52-24-4
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Formula:
C6H12N3PS
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Chemical Name:
Thiotepa
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Synonyms:
Aziridine,1,1′,1′′-phosphinothioylidynetris-;Phosphine sulfide,tris(1-aziridinyl)-;1,1′,1′′-Phosphinothioylidynetris[aziridine];NSC 6396;Tespamin;Tespamine;Thiotriethylenephosphoramide;Triaziridinylphosphine sulfide;N,N′,N′′-Triethylenethiophosphoramide;Triethylenethiophosphorotriamide;Tris(1-aziridinyl)phosphine sulfide;Triethylenethiophosphoramide;Tri(ethyleneimino)thiophosphoramide;Thiophosphoramide,N,N′,N′′-tri-1,2-ethanediyl-;Phosphorothioic triamide,N,N′,N′′-tri-1,2-ethanediyl-;Thiophosphamide;Thiotepa;Oncotiotepa;Phosphorothioic acid triethylenetriamide;Thiotef;Tiofosfamid;Thiofozil;Tiofozil;Tiofosyl;TSPA;Tio-TEF;Girostan;N,N′,N′′-Triethylenethiophosphortriamide;Tris(aziridinyl)phosphine sulfide;AI 3-24916;Tri-1-aziridinylphosphine sulfide;Thioplex;STEPA;CBC 806495;Oncothio-tepa;TESPA;Oncotepa;Thio-Tepa S;NCI C01649;SK 6882;Thio-Tep;Tris(aziridinyl)phosphine-thioxide;Tepadina;639-23-6;85177-92-0;1631739-26-8
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CAS No:
Characteristics
41.1
0.5
white solid
1.5±0.1 g/cm3
51.5 °C
272 deg F (decomposes)
117.2±22.6 °C
1.709
H2O: 19 g/100 mL (25 ºC);soluble in benzene, acetone and methanol.
2-8°C
9.41X10-3 mm Hg at 25 deg C (est)
LD50 i.v. in rats: 15 mg/kg (Scherf)
Faint odor
Safety Information
Ⅱ
6.1(a)
UN 2811 6.1/PG 2
3
45-46-28
53-22-26-36/37/39-45-36/37-28
SZ2975000
T+
Stable. Incompatible with strong oxidizing agents.
P201-P264-P301 + P310-P308 + P313
H300-H350
Thiotepa Use and Manufacturing
Ethyleneimine, triethylamine and anhydrous benzene are cooled to below 0℃, and the solution of phosphorous thiochloride and benzene is added dropwise with stirring, the temperature is controlled below 5℃, after the addition, the mixture is stirred at room temperature for 2-3h, filtered . The filter cake is triethylamine hydrochloride, washed with anhydrous benzene. Wash and filtrate are combined, benzene is distilled off under reduced pressure, the residue is added with petroleum ether to precipitate crystals, cooled and filtered. The crystallization is recrystallized with petroleum ether to obtain the finished product thiotepa. The yield was 79.4%.
Insect sterilant.
Computed Properties
Molecular Weight:189.22
XLogP3:0.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:189.04895557
Monoisotopic Mass:189.04895557
Topological Polar Surface Area:41.1
Heavy Atom Count:11
Complexity:194
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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