- InChI
- InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
- InChI Key
- FOCVUCIESVLUNU-UHFFFAOYSA-N
- Formula
- C6H12N3PS
- SMILES
- S=P(N1CC1)(N1CC1)N1CC1
- Molecular Weight1
- 189.22
- CAS
- 52-24-4
- Other Names
-
- Aziridine, 1,1',1''-phosphinothioylidynetris-
- CBC 806495
- Girostan
- N,N',N''-Tri-1,2-ethanediylphosphorothioic triamide
- N,N',N''-Tri-1,2-ethanediylthiophosphoramide
- N,N',N''-Triethylenephosphorothioic triamide
- N,N',N''-Triethylenethiophosphamide
- N,N',N''-Triethylenethiophosphoramide
- NCI-C01649
- NSC 6396
- Oncotepa
- Oncothio-tepa
- Oncotiotepa
- Phosphine sulfide, tris(1-aziridinyl)-
- Phosphorothioic acid triethylenetriamide
- Phosphorothioic triamide, N,N',N''-tri-1,2-ethanediyl-
- Phosphorothioic triamide, N,N',N''-triethylene
- SK 6882
- STEPA
- Tespa
- Tespamin
- Tespamine
- Thio-tepa S
- Thio-Tep
- Thiofozil
- Thiophosphamide
- Thiophosphoramide, N,N',N'' -triethylene-
- Thiophosphoramide, N,N',N''-tri-1,2-ethanediyl-
- Thiotef
- Thiotriethylenephosphoramide
- Tifosyl
- Tio-tef
- Tiofosfamid
- Tiofosyl
- Tiofozil
- Tri(ethyleneimino)thiophosphoramide
- Triaziridinylphosphine sulfide
- Triethylene thiophosphoramide
- Triethylenethiophosphorotriamide
- Tris(ethylenimino)thiophosphate
- Tris(1-aziridinyl)phosphine sulfide
- TSPA
- 1,1',1''-Phosphinothioylidynetrisaziridine
- Phosphorothioic triamide, N,N',N"-triethylene-
- Tris(1-aziridinyl)phosphine sulphide
- Tris(aziridinyl)phosphine sulfide
- Thioplex
- N,N',N''-Triethylenethiophosphortriamide
- Tri-1-aziridinylphosphine sulfide
- AI 3-24916
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4565 | Relay (... Calculated Property | |
| ΔfG° | 336.36 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 308.11 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 59.51 | kJ/mol | Relay (... Calculated Property |
| IE | 8.17 | eV | Relay (... Calculated Property |
| log10WS | -1.41 | Relay (... Calculated Property | |
| logPoct/wat | 0.158 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 2753.90 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 566.72 | K | Relay (... Calculated Property |
| Tc | 780.29 | K | Relay (... Calculated Property |
| Tfus | 392.86 | K | Relay (... Calculated Property |
| Vc | 0.557 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Thiotepa.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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