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CAS No.: | 108448-77-7 |
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Name: | (2S)-Bornane-10,2-sultam |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C10H17NO2S |
Molecular Weight: | 215.316 |
Synonyms: | 3H-3α,6-Methano-2,1-benzisothiazole,hexahydro-8,8-dimethyl-, 2,2-dioxide, [3aR-(3aa,6a,7ab)]-;(+)-Camphersultam;(+)-L-2,10-Camphorsultam;(1R)-(+)-2,10-Camphorsultam;(1R,2S)-Camphor-2,10-sultam;L-(+)-Camphorsultam;3H-3a,6-Methano-2,1-benzisothiazole,hexahydro-8,8-dimethyl-, 2,2-dioxide, (3aR,6S,7aS)-; |
Density: | 1.28 g/cm3 |
Melting Point: | 185-187 °C(lit.) |
Boiling Point: | 324.8 °C at 760 mmHg |
Flash Point: | 150.3 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 54.55000 |
LogP: | 2.52390 |
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The (2S)-Bornane-10,2-sultam, with the CAS registry number 108448-77-7, has the systematic name of 8,8-dimethylhexahydro-3α,6-methano-2,1-benzothiazole 2,2-dioxide. It is a kind of white to light yellow crystal powder, and belongs to the following categories: Chiral; Asymmetric Synthesis; Bicyclic Monoterpenes; Biochemistry; Sulfur Compounds (for Synthesis); Synthetic Organic Chemistry; Terpenes; Peptide. And it should be stored at 2-8°C. The molecular formula of the chemical is C10H17NO2S.
The physical properties of (2S)-Bornane-10,2-sultam are as followings: (1).ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 3.64; (7)ACD/KOC (pH 5.5): 87.69; (8)ACD/KOC (pH 7.4): 87.68; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 54.65 cm3; (15)Molar Volume: 167.3 cm3; (16)Polarizability: 21.66×10-24cm3; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.28 g/cm3; (19)Flash Point: 150.3 °C; (20)Enthalpy of Vaporization: 56.69 kJ/mol; (21)Boiling Point: 324.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000239 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S2(=O)NC3CC1C(C3(CC1)C2)(C)C
(2)InChI: InChI=1/C10H17NO2S/c1-9(2)7-3-4-10(9)6-14(12,13)11-8(10)5-7/h7-8,11H,3-6H2,1-2H3
(3)InChIKey: DPJYJNYYDJOJNO-UHFFFAOYAK