4,4-Thiobis(6-tert-butyl-m-cresol)

• Catalog Number: ACM96695
• Product Name: 4,4-Thiobis(6-tert-butyl-m-cresol)
• CAS: 96-69-5
• Category: Heterocyclic Organic Compound
• Description: 4,4'-thiobis(6-tert-butyl-m-cresol) appears as white or light gray to tan powder. (NTP, 1992);DryPowder; DryPowder, PelletsLargeCrystals;Light-gray to tan powder with a slightly aromatic odor.;Light-gray to tan powder with a slightly aromatic odor.
• Synonyms: 5-TERT-BUTYL-4-HYDROXY-2-METHYLPHENYL SULFIDE;4,4-Thiobis(3-methyl-6-tert-butylphenol);4,4-THIO-BIS-(6-T-BUTYL-3-METHYLPHENOL);4,4-THIOBIS(2-T-BUTYL-5-METHYLPHENOL);4,4-THIOBIS(2-TERT-BUTYL-5-METHYLPHENOL);4,4-THIOBIS(6-TERT-BUTYL-M-CRESOL);4,4-THIOBIS(6-TERT-BUTYL-M-CRESOL);1,1-Thiobis(2-methyl-4-hydroxy-5-tert-butylbenzene)
• IUPAC Name: 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
• Molecular Weight: 358.5g/mol
• Molecular Formula: C22H30O2S
• Canonical SMILES: CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
• InChI: InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
• InChI Key: HXIQYSLFEXIOAV-UHFFFAOYSA-N
• Melting Point: 302 °F (NTP, 1992);162.0 °C;150 °C;302°F;302°F
• Flash Point: 420 °F (NTP, 1992);420°F;420°F
• Density: 1.1 at 77 °F (NTP, 1992);1.10;1.10
• Solubility: less than 0.1 mg/mL at 64° F (NTP, 1992);VERY SOL IN METHANOL (79%); SOL IN ACETONE (20%); SLIGHTLY SOL IN BENZENE (5%); VERY SLIGHTLY SOL IN WATER (0.08%);0.08%
• Color/Form: LIGHT GREY POWDER;FINE WHITE CRYSTALS;Light gray to tan powder.
• Complexity: 396
• Covalently-Bonded Unit Count: 1
• EC Number: 202-525-2
• Exact Mass: 358.196651g/mol
• Formal Charge: 0
• Hazard Statements: Xi,N
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 25
• Monoisotopic Mass: 358.196651g/mol
• NSC Number: 35388
• Odor: Slightly aromatic odor.
• Other Experimental: SANTONOX R MELTING POINT: 161 °C
• Rotatable Bond Count: 4
• RTECS Number: GP3150000
• Safety Description: 37/39-26-61-60-36/37
• Supplemental Hazard Statements: H315-H317-H319-H373
• Symbol: GHS07,GHS08
• UNII: 3CA5G9822V
• Vapor Pressure: 6.3e-07 mm Hg at 158 °F (NTP, 1992);0.0000006 mmHg;0.0000006 mmHg
• XLogP3: 7.4

Custom Q&A

What is the molecular formula of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The molecular formula of 4,4-Thiobis(6-tert-butyl-m-cresol) is C22H30O2S.

What is the molecular weight of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The molecular weight of 4,4-Thiobis(6-tert-butyl-m-cresol) is 358.5 g/mol.

What is the IUPAC name of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The IUPAC name of 4,4-Thiobis(6-tert-butyl-m-cresol) is 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol.

What is the InChI of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The InChI of 4,4-Thiobis(6-tert-butyl-m-cresol) is InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3.

What is the InChIKey of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The InChIKey of 4,4-Thiobis(6-tert-butyl-m-cresol) is HXIQYSLFEXIOAV-UHFFFAOYSA-N.

What is the canonical SMILES of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The canonical SMILES of 4,4-Thiobis(6-tert-butyl-m-cresol) is CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O.

What is the CAS number of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The CAS number of 4,4-Thiobis(6-tert-butyl-m-cresol) is 96-69-5.

What is the EC number of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The EC number of 4,4-Thiobis(6-tert-butyl-m-cresol) is 202-525-2.

What is the UNII of 4,4-Thiobis(6-tert-butyl-m-cresol)?

The UNII of 4,4-Thiobis(6-tert-butyl-m-cresol) is 3CA5G9822V.

What is the molecular weight of 4,4-Thiobis(6-tert-butyl-m-cresol) computed by PubChem?

The molecular weight of 4,4-Thiobis(6-tert-butyl-m-cresol) computed by PubChem is 358.5 g/mol.