Thiotepa

C₆H₁₂N₃PSCAS 52-24-4189.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₁₂N₃PS
Molar mass: 189.22 g/mol
Exact mass: 189.0490 Da
Melting point: 51.5 °C
Water solubility: 190 g/L (25 °C)
logP: 0.16Crippen estimate
Polar surface area: 9.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H300 Fatal if swallowed98.1% of notifiers
H315 Causes skin irritation18.5% of notifiers
H319 Causes serious eye irritation18.5% of notifiers
H335 May cause respiratory irritation18.5% of notifiers
H340 May cause genetic defects27.8% of notifiers
H350 May cause cancer100% of notifiers
H360 May damage fertility or the unborn child24.1% of notifiers

Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52-24-4

SMILES

S=P(N1CC1)(N1CC1)N1CC1

InChIKey

FOCVUCIESVLUNU-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2

Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+

[M + H]+ Calcd for C6H13N3PS 190.0562

[M + Na]+

[M + Na]+ Calcd for C6H12N3NaPS 212.0382

[M − H]−

[M − H]− Calcd for C6H11N3PS 188.0417

Elemental analysis

Anal. Calcd for C6H12N3PS: C, 38.09; H, 6.39; N, 22.21; S, 16.94.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

42 names · show all

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
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

Work with Thiotepa

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

PubChem CAS Common Chemistry NIST WebBook