CAS No.: 102-08-9 — Thiocarbanilide (对称二苯硫脲)

1. Primary Information

English name:	Thiocarbanilide
CAS No.:	102-08-9
Molecular formula:	C₁₃H₁₂N₂S
Molecular weight:	228.31 g/mol
SMILES:	C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
Structural class:
Other identifiers:	1,3-diphenyl-2-thiourea diphenylthiourea

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	≥98.5%(HPLC)	24	RT,避光	in stock	-
Kehua Intelligence	100g	≥98.5%(HPLC)	32	RT,避光	in stock	-
Kehua Intelligence	500g	≥98.5%(HPLC)	88	RT,避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 29 0 0 0 0 0 0 0999 V2000 0.8184 -2.9760 -0.2304 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3816 -1.5330 -0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5967 -0.2488 -0.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3338 -0.5142 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9565 0.1512 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 -1.5054 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6005 -0.7189 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3198 1.2865 -0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 0.7093 0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8888 -0.6034 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5523 0.2997 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6578 1.6800 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 1.7279 0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -0.2100 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2376 1.5232 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6115 0.9318 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 -2.4530 -0.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 0.4791 -0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8591 -1.6670 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5856 1.8765 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0992 0.8943 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6227 -1.4537 1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 0.1400 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 2.5694 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 2.6717 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9675 -0.7827 1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9809 2.3141 0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6529 1.2404 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 17 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 18 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 8 2 0 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 15 2 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,3-diphenylthiourea

4.2 InChI

InChI=1S/C13H12N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)

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)