CAS No.: 92-84-2 — Phenothiazine (吩噻嗪)

1. Primary Information

English name:	Phenothiazine
CAS No.:	92-84-2
Molecular formula:	C₁₂H₉NS
Molecular weight:	199.27 g/mol
SMILES:	C1=CC=C2C(=C1)NC3=CC=CC=C3S2
Structural class:
Other identifiers:	phenosan phenothiazine

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	96	2-8℃	in stock	-
Kehua Intelligence	100g	≥97.5%	28	2-8℃	in stock	-
Kehua Intelligence	500g	≥97.5%	89	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 0.0000 1.8702 -0.0016 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -1.2549 -0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2589 -0.6341 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -0.6340 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3996 0.7626 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 0.7626 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4146 -1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4146 -1.4337 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 1.3323 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6824 1.3323 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 -0.8593 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 -0.8593 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 0.5243 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 0.5243 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.2686 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3297 -2.5183 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3296 -2.5184 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 2.4125 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8131 2.4125 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5679 -1.4920 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5679 -1.4921 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8065 0.9760 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8066 0.9759 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

10H-phenothiazine

4.2 InChI

InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H

4.3 InChIKey

WJFKNYWRSNBZNX-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC=C2C(=C1)NC3=CC=CC=C3S2

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)