Phenanthro[3,4-b]thiophene supplier

Name
Phenanthro[3,4-b]thiophene
EINECS
CAS No. 195-52-8
Article Data2
CAS DataBase
Density 1.292 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₀S
Boiling Point 440.7 °C at 760 mmHg
Molecular Weight 234.321
Flash Point 166.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Thiacyclopenta[c]phenanthrene;
PSA 28.24000
LogP 5.20770

Phenanthro[3,4-b]thiophene Specification

The Phenanthro[3,4-b]thiophene, with the CAS registry number 195-52-8, is also known as Benzonaphthothiophene. This chemical's molecular formula is C₁₆H₁₀S and molecular weight is 234.3156. Its systematic name is called phenanthro[3,4-b]thiophene. This chemical's classification code is Mutation data.

Physical properties of Phenanthro[3,4-b]thiophene: (1)ACD/LogP: 6.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.84; (4)ACD/LogD (pH 7.4): 6.84; (5)ACD/BCF (pH 5.5): 93209.67; (6)ACD/BCF (pH 7.4): 93209.67; (7)ACD/KOC (pH 5.5): 125521.79; (8)ACD/KOC (pH 7.4): 125521.79; (9)Index of Refraction: 1.809; (10)Molar Refractivity: 78.16 cm³; (11)Molar Volume: 181.2 cm³; (12)Surface Tension: 58.7 dyne/cm; (13)Density: 1.292 g/cm³; (14)Flash Point: 166.1 °C; (15)Enthalpy of Vaporization: 67.1 kJ/mol; (16)Boiling Point: 440.7 °C at 760 mmHg; (17)Vapour Pressure: 1.49E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: s3c2ccc1ccc4c(c1c2cc3)cccc4
(2)InChI: InChI=1/C16H10S/c1-2-4-13-11(3-1)5-6-12-7-8-15-14(16(12)13)9-10-17-15/h1-10H
(3)InChIKey: XRJUVKFVUBGLMG-UHFFFAOYAD

Product Name

Phenanthro[3,4-b]thiophene

Phenanthro[3,4-b]thiophene Specification

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