CAS No.: 1276372-62-3 — Triethylenethiophosphoramide-d12 (Triethylenethiophosphoramide-d12)

1. Primary Information

English name:	Triethylenethiophosphoramide-d12
CAS No.:	1276372-62-3
Molecular formula:	C₆H₁₂N₃PS
Molecular weight:	201.29 g/mol
SMILES:	C1CN1P(=S)(N2CC2)N3CC3
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1mg	-	5760	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 25 0 0 0 0 0 0 0999 V2000 -0.0260 0.0231 1.9833 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 -0.0038 0.0158 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6421 1.3477 -0.6749 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8387 -1.2469 -0.6664 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4976 -0.1011 -0.6789 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7915 1.9483 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 2.6110 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 -1.6626 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 -2.5216 0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5529 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -0.9469 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5398 2.3663 -0.6775 H 1 0 0 0 0 0 0 0 0 0 0 0 2.1876 1.5039 0.8840 H 1 0 0 0 0 0 0 0 0 0 0 0 -0.1132 2.6443 0.9424 H 1 0 0 0 0 0 0 0 0 0 0 0 0.2892 3.4711 -0.6225 H 1 0 0 0 0 0 0 0 0 0 0 0 2.3865 -1.1582 0.8944 H 1 0 0 0 0 0 0 0 0 0 0 0 2.8688 -1.9667 -0.6625 H 1 0 0 0 0 0 0 0 0 0 0 0 0.8099 -3.3992 -0.5995 H 1 0 0 0 0 0 0 0 0 0 0 0 0.2853 -2.6264 0.9594 H 1 0 0 0 0 0 0 0 0 0 0 0 -2.4256 1.0789 0.9377 H 1 0 0 0 0 0 0 0 0 0 0 0 -3.3388 1.0140 -0.6296 H 1 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -1.4818 0.8752 H 1 0 0 0 0 0 0 0 0 0 0 0 -3.1474 -1.4857 -0.6877 H 1 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M ISO 8 12 2 13 2 14 2 15 2 16 2 17 2 18 2 19 2 M ISO 4 20 2 21 2 22 2 23 2

4. International Nomenclature & Identifiers

4.1 IUPAC Name

sulfanylidene-tris(2,2,3,3-tetradeuterioaziridin-1-yl)-λ5-phosphane

4.2 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

4.3 InChIKey

FOCVUCIESVLUNU-LBTWDOQPSA-N

4.4 Canonical SMILES

C1CN1P(=S)(N2CC2)N3CC3

4.5 Isomeric SMILES

[2H]C1(C(N1P(=S)(N2C(C2([2H])[2H])([2H])[2H])N3C(C3([2H])[2H])([2H])[2H])([2H])[2H])[2H]

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)