Basic Information | Post buying leads | Suppliers |
Name |
4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate |
EINECS | N/A |
CAS No. | 331837-01-5 | Density | N/A |
PSA | 107.55000 | LogP | 2.10900 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9N2O3S- | Boiling Point | 436.9 °C at 760 mmHg |
Molecular Weight | 225.24 | Flash Point | 218 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-(2-Hydroxyethylsulfanyldiazenyl)benzoate; |
The 4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate, with the CAS registry number 331837-01-5, is also known as p-Methoxyphenyl methyl carbinol. This chemical's molecular formula is C9H9N2O3S- and molecular weight is 225.24. What's more, its IUPAC name is 4-(2-hydroxyethylsulfanyldiazenyl)benzoate.
Physical properties of 4-{(E)-[(2-Hydroxyethyl)sulfanyl]diazenyl}benzoate are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 96.55 Å2; (7)Flash Point: 218 °C; (8)Enthalpy of Vaporization: 73.09 kJ/mol; (9)Boiling Point: 436.9 °C at 760 mmHg; (10)Vapour Pressure: 2.09E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C(=O)[O-])N=NSCCO
(2)InChI: InChI=1S/C9H10N2O3S/c12-5-6-15-11-10-8-3-1-7(2-4-8)9(13)14/h1-4,12H,5-6H2,(H,13,14)/p-1
(3)InChIKey: XQYXSDKECFGYPC-UHFFFAOYSA-M