CAS No.: 60-10-6 — Dithizone (双硫腙)

1. Primary Information

English name:	Dithizone
CAS No.:	60-10-6
Molecular formula:	C₁₃H₁₂N₄S
Molecular weight:	256.33 g/mol
SMILES:	C1=CC=C(C=C1)NNC(=S)N=NC2=CC=CC=C2
Structural class:
Other identifiers:	Diphenylthiocarbazone Dithizon Dithizone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5g	AR	60	RT,避光	in stock	-
Kehua Intelligence	25g	AR	240	RT,避光	in stock	-
Kehua Intelligence	100g	AR	640	RT,避光	in stock	-
Kehua Intelligence	500g	AR	1792	RT,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 31 0 0 0 0 0 0 0999 V2000 -0.3467 4.0043 0.2632 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4672 0.7914 -1.0561 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2191 2.0235 -0.5200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 0.8238 0.5586 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0856 1.4996 -0.4765 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4098 -0.0501 -0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -1.2265 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 0.2743 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -2.0649 -0.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 -0.5641 1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2979 -1.7337 0.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3186 -0.1056 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0066 -1.3799 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6472 0.2415 0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 -2.3070 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6639 -0.6857 0.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -1.9599 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0807 2.4192 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -1.4974 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 1.1711 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1161 0.5979 -1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 -2.9758 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3134 -0.3077 2.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0296 -2.3868 1.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9742 -1.6600 -0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9004 1.2316 0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 2.6471 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7804 -3.2991 -0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6984 -0.4155 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1436 -2.6818 -0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 18 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-anilino-3-phenyliminothiourea

4.2 InChI

InChI=1S/C13H12N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)

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)