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Thio-TEPA

CAT: 0013-GTR19162163-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162163-02Size:5 mg
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Description
An alkylating agent used to treat cancer that has been previously used in the palliation of a wide variety of neoplastic diseases.Chemotherapeutic Agents Approved.
CAS Number
52-24-4
Product Name Alternative
NCI C01649 | NSC 6396 | Triethylenethiophosphoramide
Field of Research
Metabolism Research
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
S=P (N1CC1) (N2CC2) N3CC3
Molecular Formula
C6H12N3PS
Molecular Weight
189.2183
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Aziridine, 1,1',1''-phosphinothioylidynetris-

Chemical Information

Thiotepa

Tris(1-aziridinyl)phosphine Sulfide (Thiotepa) can cause cancer according to an independent committee of scientific and health experts.

CAS Number52-24-4
PubChem CID5453
IUPAC Nametris(aziridin-1-yl)-sulfanylidene-lambda5-phosphane
Molecular FormulaC6H12N3PS
Molecular Weight189.22
XLogP0.5
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity194
SMILES
C1CN1P(=S)(N2CC2)N3CC3
InChI
InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
InChIKey
FOCVUCIESVLUNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiotepa
CAS: 52-24-4
CID: 5453
Formula: C6H12N3PS
MW: 189.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight189.22
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass189.04895557
Monoisotopic Mass189.04895557
Topological Polar Surface Area41.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity194
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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