CAS No.32004-67-4,SULINDAC SULFIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	32004-67-4
Name:	SULINDAC SULFIDE
Article Data:	9

Formula:	C₂₀H₁₇FO₂S
Molecular Weight:	340.418
Synonyms:	Indene-3-aceticacid, 5-fluoro-2-methyl-1-[p-(methylthio)benzylidene]- (8CI);5-Fluoro-2-methyl-1-(p-methylthiobenzylidene)-3-indenylacetic acid;
EINECS:	250-892-2
Density:	1.3 g/cm³
Melting Point:	189-191°C
Boiling Point:	526.3 °C at 760 mmHg
Flash Point:	272.1 °C
Solubility:	DMSO: >22 mg/mL in water
Appearance:	Yellow-orange solid
Hazard Symbols:	Xn
Risk Codes:	22-42/43-63
PSA:	62.60000
LogP:	5.35000

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Specification

The CAS register number of Sulindac sulfide is 32004-67-4. It also can be called as 5-Fluoro-2-methyl-1-(4-methylthiobenzylidene)inden-3-ylacetic acid and the IUPAC name about this chemical is 2-[6-fluoro-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetic acid. It belongs to the following product categories, such as Various Metabolites and Impurities, Intermediates & Fine Chemicals, Metabolites, Pharmaceuticals and so on. This chemical is harmful if swallowed and it may cause sensitization by inhalation and skin contact, it has possible risk of harm to the unborn child.

Physical properties about Sulindac sulfide are: (1)ACD/LogP: 5.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 754.93; (6)ACD/BCF (pH 7.4): 12.45; (7)ACD/KOC (pH 5.5): 1753.73; (8)ACD/KOC (pH 7.4): 28.92; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.6Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 95.36 cm³; (15)Molar Volume: 260.4 cm³; (16)Polarizability: 37.8x10^-24cm³; (17)Surface Tension: 55.4 dyne/cm; (18)Enthalpy of Vaporization: 84.29 kJ/mol; (19)Boiling Point: 526.3 °C at 760 mmHg; (20)Vapour Pressure: 6.6E-12 mmHg at 25°C.

Sulindac sulfide is an active metabolite of Sulindac. It inhibits cyclooxygenase, but induces apoptosis by a cyclooxygenase-independent mechanism and it is inhibition of Ras activation of Ref-1. It impairs nucleotide exchange on Ras by CDC25 and accelerates Ras hydrolysis of GTP b.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc\2c(cc1)/C(/C(=C/2CC(=O)O)C)=C\c3ccc(SC)cc3
(2)InChI: InChI=1/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
(3)InChIKey: LFWHFZJPXXOYNR-MFOYZWKCBN
(4)Std. InChI: InChI=1S/C20H17FO2S/c1-12-17(9-13-3-6-15(24-2)7-4-13)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
(5)Std. InChIKey: LFWHFZJPXXOYNR-MFOYZWKCSA-N