CAS No.1964-45-0,3,5-DIMETHYLTHIANAPHTHENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1964-45-0
Name:	3,5-DIMETHYLTHIANAPHTHENE
Article Data:	13

Formula:	C₁₀H₁₀S
Molecular Weight:	162.25
Synonyms:	3,5-Dimethylbenzo[b]thiophene;3,5-Dimethyl-1-thiaindene;
Density:	1.114 g/cm³
Boiling Point:	261.1 °C at 760 mmHg
Flash Point:	81 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	28.24000
LogP:	3.51810

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Specification

The Benzo[b]thiophene,3,5-dimethyl-, with the CAS registry number 1964-45-0, is also known as 3,5-Dimethylbenzo(b)thiophene. This chemical's molecular formula is C₁₀H₁₀S and molecular weight is 162.2514. Its IUPAC name is called 3,5-dimethyl-1-benzothiophene. The product should be sealed and stored in cool, dry and well-ventilated place.

Physical properties of Benzo[b]thiophene,3,5-dimethyl-: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.3; (4)ACD/LogD (pH 7.4): 5.3; (5)ACD/BCF (pH 5.5): 6282.28; (6)ACD/BCF (pH 7.4): 6282.28; (7)ACD/KOC (pH 5.5): 18208.91; (8)ACD/KOC (pH 7.4): 18208.91; (9)Index of Refraction: 1.635; (10)Molar Refractivity: 52.12 cm³; (11)Molar Volume: 145.5 cm³; (12)Surface Tension: 41.5 dyne/cm; (13)Density: 1.114 g/cm³; (14)Flash Point: 81 °C; (15)Enthalpy of Vaporization: 47.87 kJ/mol; (16)Boiling Point: 261.1 °C at 760 mmHg; (17)Vapour Pressure: 0.0191 mmHg at 25°C.

Preparation: this chemical can be prepared by p-tolylsulfanyl-acetone. This reaction will need reagent phosphorus (V)-oxide. The reaction temperature is 190 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC2=C(C=C1)SC=C2C
(2)InChI: InChI=1S/C10H10S/c1-7-3-4-10-9(5-7)8(2)6-11-10/h3-6H,1-2H3
(3)InChIKey: UQJSHXYNNVEGMQ-UHFFFAOYSA-N