Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Pentene,5-isothiocyanato- |
EINECS | N/A |
CAS No. | 18060-79-2 | Density | 0.9 g/cm3 |
PSA | 44.45000 | LogP | 2.05540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H9NS | Boiling Point | 182.8 °C at 760 mmHg |
Molecular Weight | 127.21 | Flash Point | 57.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Penten-1-yl isothiocyanate;Isothiocyanic acid pent-4-enyl ester;5-Isothiocyanatopent-1-ene; |
Article Data | 5 |
The 1-Pentene,5-isothiocyanato-, with the CAS registry number 18060-79-2, is also known as 4-Penten-1-yl isothiocyanate. This chemical's molecular formula is C6H9NS and molecular weight is 127.21. What's more, its systematic name is 5-Isothiocyanatopent-1-ene.
Physical properties of 1-Pentene,5-isothiocyanato- are: (1)ACD/LogP: 2.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.68; (5)ACD/BCF (pH 5.5): 63.54; (6)ACD/BCF (pH 7.4): 63.54; (7)ACD/KOC (pH 5.5): 679.55; (8)ACD/KOC (pH 7.4): 679.55; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.45 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 40.38 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 16.01×10-24 cm3; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 0.9 g/cm3; (19)Flash Point: 57.8 °C; (20)Enthalpy of Vaporization: 40.18 kJ/mol; (21)Boiling Point: 182.8 °C at 760 mmHg; (22)Vapour Pressure: 1.09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CCCCN=C=S
(2)InChI: InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
(3)InChIKey: DBISBKDNOKIADM-UHFFFAOYSA-N