CAS No.: 15263-53-3 — Cartap (杀螟丹)

1. Primary Information

English name:	Cartap
CAS No.:	15263-53-3
Molecular formula:	C₇H₁₅N₃O₂S₂
Molecular weight:	237.3 g/mol
SMILES:	CN(C)C(CSC(=O)N)CSC(=O)N
Structural class:
Other identifiers:	carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester, hydrobromide carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester, monohydrochloride Cartap Padan

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	2-8℃	in stock	-
Kehua Intelligence	100mg	98%	1056	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 28 0 0 0 0 0 0 0999 V2000 1.7961 -0.5616 -0.7655 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9862 -0.7259 0.9130 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3177 -1.6011 1.1326 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 -1.1208 -1.3177 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4256 2.3526 -0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -2.3086 -1.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -1.6652 0.6790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 1.2239 0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 0.2702 0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2721 0.5965 -0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 3.0150 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 3.2947 -0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 -1.5700 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3411 -1.1997 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2918 1.6100 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 0.7506 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8541 -0.5231 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 1.3167 -0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 0.2066 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 2.4362 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4165 3.2581 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 3.9571 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 4.2279 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1729 3.5610 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 2.9291 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3918 -2.2352 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4184 -2.9517 -0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2981 -1.7041 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 -1.9850 0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 14 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate

4.2 InChI

InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)

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)