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| CAS No.: | 10558-44-8 |
|---|---|
| Name: | BIS(2-THIENYL) KETOXIME |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C9H7NOS2 |
| Molecular Weight: | 209.293 |
| Synonyms: | 2-Thienylketone, oxime (7CI,8CI);Bis(thien-2-yl)methanone oxime;Di-2-thienylketoxime;Ketone, di-2-thienyl, oxime; |
| Density: | 1.38 g/cm3 |
| Melting Point: | 134 °C |
| Boiling Point: | 361.1 °C at 760 mmHg |
| Flash Point: | 172.2 °C |
| Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 89.07000 |
| LogP: | 3.03620 |
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- Total:17 Page 1 of 1 1
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Specification
The Methanone,di-2-thienyl-, oxime, with the CAS registry number 10558-44-8, is also known as Di(2-thienyl)methanone oxime. This chemical's molecular formula is C9H7NOS2 and molecular weight is 209.29. What's more, its IUPAC name is N-(Dithiophen-2-ylmethylidene)hydroxylamine. Complied with the regulations of use and storage, it does not decompose. It should be sealed and stored in a cool, dark and dry place.
Physical properties of Methanone,di-2-thienyl-, oxime are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.59; (6)ACD/BCF (pH 7.4): 51.58; (7)ACD/KOC (pH 5.5): 585.44; (8)ACD/KOC (pH 7.4): 585.27; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.07 Å2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 58.44 cm3; (15)Molar Volume: 151.4 cm3; (16)Polarizability: 23.17×10-24 cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.38 g/cm3; (19)Flash Point: 172.2 °C; (20)Enthalpy of Vaporization: 64.04 kJ/mol; (21)Boiling Point: 361.1 °C at 760 mmHg; (22)Vapour Pressure: 7.58E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)C(=NO)C2=CC=CS2
(2)InChI: InChI=1S/C9H7NOS2/c11-10-9(7-3-1-5-12-7)8-4-2-6-13-8/h1-6,11H
(3)InChIKey: UXSSDPITEOFAMK-UHFFFAOYSA-N