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Triethylenethiophosphoramide-d12

CAT: 0572-TRC-T776652-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T776652-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1276372-62-3
Synonyms
1,1’,1’’-Phosphinothioylidynetrisaziridine-d12; Tris(1-aziridinyl)phosphine-d12 Sulfide; AI 3-24916-d12; CBC 806495-d12; Girostan-d12; N,N’,N’’-Triethylenethio phosphoramide-d12; Oncotepa-d12; Oncothio-tepa-d12; Oncotiotepa-d12; Phosphorothioic Acid Triethylenetriamide-d12; Tespamin-d12; Tespamine-d12; Tris(aziridinyl)phosphine-thioxide-d12; Thio-TEPA-d12;
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Smiles
S=P(N1C([2H])([2H])C1([2H])[2H])(N2C([2H])([2H])C2([2H])[2H])N3C([2H])([2H])C3([2H])[2H]
Molecular Formula
C6D12N3PS
Molecular Weight
201.29
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Triethylenethiophosphoramide-d12
CAS Number1276372-62-3
PubChem CID71752729
IUPAC Namesulfanylidene-tris(2,2,3,3-tetradeuterioaziridin-1-yl)-lambda5-phosphane
Molecular FormulaC6H12N3PS
Molecular Weight201.29
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
[2H]C1(C(N1P(=S)(N2C(C2([2H])[2H])([2H])[2H])N3C(C3([2H])[2H])([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C6H12N3PS/c11-10(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2/i1D2,2D2,3D2,4D2,5D2,6D2
InChIKey
FOCVUCIESVLUNU-LBTWDOQPSA-N
Chemical Structure
2D Structure
2D structure of Triethylenethiophosphoramide-d12
CAS: 1276372-62-3
CID: 71752729
Formula: C6H12N3PS
MW: 201.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight201.29
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass201.12427652
Monoisotopic Mass201.12427652
Topological Polar Surface Area41.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity194
Isotope Atom Count12
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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