CAS No.: 145783-15-9 — 4,6-Dichloro-2-(propylthio)pyrimidin-5-amine (替卡格雷中间体44,6-二氯-2-(丙硫基)-5-氨基嘧啶)

1. Primary Information

English name:	4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
CAS No.:	145783-15-9
Molecular formula:	C₇H₉Cl₂N₃S
Molecular weight:	238.14 g/mol
SMILES:	CCCSC1=NC(=C(C(=N1)Cl)N)Cl
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	160	2-8℃	in stock	-
Kehua Intelligence	5g	>98%(GC)	36	2-8℃	in stock	-
Kehua Intelligence	25g	>98%(GC)	128	2-8℃	in stock	-
Kehua Intelligence	100g	>98%(GC)	416	2-8℃	in stock	-
Kehua Intelligence	500g	>98%(GC)	1840	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 22 22 0 0 0 0 0 0 0999 V2000 1.2364 -2.9252 -0.1729 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 2.0891 0.3624 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.3252 -0.5483 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0774 -0.7140 -0.3234 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 1.5027 -0.0866 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5501 -0.9678 0.2979 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 0.4102 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 0.0176 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2245 -0.6792 0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 0.6261 -0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2746 -0.4197 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -1.2069 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0498 0.9418 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5114 1.3409 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5841 0.5854 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 -0.1525 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 -0.9122 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0141 -0.8614 1.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2741 -0.3829 0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0883 -1.6189 0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3431 -0.3601 0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6785 -1.9708 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 10 2 0 0 0 0 5 13 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 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 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4,6-dichloro-2-propylsulfanylpyrimidin-5-amine

4.2 InChI

InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3

4.3 InChIKey

CJJLJBFJNXMANZ-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCSC1=NC(=C(C(=N1)Cl)N)Cl

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)