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CAS No.: | 32446-47-2 |
---|---|
Name: | 3-ETHYLBENZOTHIAZOLIUM BROMIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H10BrNS |
Molecular Weight: | 244.155 |
Synonyms: | Benzothiazolium, 3-ethyl-, bromide (8CI,9CI);3-Ethylbenzothiazolium bromide; |
Melting Point: | 205-207 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 32.12000 |
LogP: | -0.78730 |
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The Benzothiazolium, 3-ethyl-, bromide (1:1) is an organic compound with the molecular formula C9H10BrNS. Its CAS registry number is 32446-47-2. The IUPAC name of this chemical is called 3-Ethyl-1,3-benzothiazol-3-ium bromide. What's more, the molecular weight of this chemical is 244.15.
Physical properties about Benzothiazolium, 3-ethyl-, bromide (1:1) are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 32.12 Å2.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. During using it, you should wear suitable protective clothing, gloves and eye/face protection and ensure ventilation. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: [Br-].s2c1ccccc1[n+](c2)CC
(2) InChI: InChI=1/C9H10NS.BrH/c1-2-10-7-11-9-6-4-3-5-8(9)10;/h3-7H,2H2,1H3;1H/q+1;/p-1
(3) InChIKey: XBWYYTURPBHPFJ-REWHXWOFAR