Thiophene, 3-pentyl- supplier | CasNO.102871-31-8

Name
3-N-PENTYLTHIOPHENE
EINECS
CAS No. 102871-31-8
Article Data4
CAS DataBase
Density 0.957 g/cm³
Solubility
Melting Point
Formula C₉H₁₄S
Boiling Point 205.273 °C at 760 mmHg
Molecular Weight 154.276
Flash Point 54.551 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Amylthiophene;3-Pentylthiophene;
PSA
LogP

Thiophene, 3-pentyl- Specification

The Thiophene, 3-pentyl-, with CAS registry number 102871-31-8, belongs to the following product categories: (1)3-Alkylthiophenes (for Conduting Polymer Research); (2)Functional Materials; (3)Reagents for Conducting Polymer Research; (4)Thiophen. It has the systematic name of 3-pentylthiophene. And the chemical formula of this chemical is C₉H₁₄S.

Physical properties of Thiophene, 3-pentyl-: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1500; (6)ACD/BCF (pH 7.4): 1500; (7)ACD/KOC (pH 5.5): 6533; (8)ACD/KOC (pH 7.4): 6533; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 48.085 cm³; (15)Molar Volume: 161.25 cm³; (16)Polarizability: 19.062×10^-24cm³; (17)Surface Tension: 32.966 dyne/cm; (18)Density: 0.957 g/cm³; (19)Flash Point: 54.551 °C; (20)Enthalpy of Vaporization: 42.348 kJ/mol; (21)Boiling Point: 205.273 °C at 760 mmHg; (22)Vapour Pressure: 0.361 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCc1ccsc1
(2)InChI: InChI=1/C9H14S/c1-2-3-4-5-9-6-7-10-8-9/h6-8H,2-5H2,1H3
(3)InChIKey: PIQKSZYJGUXAQF-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H14S/c1-2-3-4-5-9-6-7-10-8-9/h6-8H,2-5H2,1H3
(5)Std. InChIKey: PIQKSZYJGUXAQF-UHFFFAOYSA-N

Product Name

3-N-PENTYLTHIOPHENE

Thiophene, 3-pentyl- Specification

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