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CAS No.: | 28956-35-6 |
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Name: | 1-(4-CHLORO-2-BENZOTHIAZOLYL)-3-METHYL UREA |
Molecular Structure: | |
Formula: | C9H8ClN3OS |
Molecular Weight: | 241.701 |
Synonyms: | Urea,1-(4-chloro-2-benzothiazolyl)-3-methyl- (8CI); |
Density: | 1.398 g/cm3 |
PSA: | 82.26000 |
LogP: | 3.16490 |
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The Urea,N-(4-chloro-2-benzothiazolyl)-N'-methyl- is an organic compound with the formula C9H8ClN3OS. The systematic name of this chemical is 1-(4-chloro-1,3-benzothiazol-2-yl)-3-methyl-urea. With the CAS registry number 28956-35-6, it is also named as 1-(Benzo[d]thiazol-2-yl)-3-methylurea.
Physical properties about Urea,N-(4-chloro-2-benzothiazolyl)-N'-methyl- are: (1)ACD/LogP: 2.26 ; (2)ACD/LogD (pH 5.5): 2.26; (3)ACD/LogD (pH 7.4): 2.26; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)Polar Surface Area: 82.26 Å2; (7)Index of Refraction: 1.721; (8)Molar Refractivity: 63.33 cm3; (9)Molar Volume: 160.1 cm3; (10)Polarizability: 25.1×10-24cm3; (11)Surface Tension: 65.7 dyne/cm; (12)Density: 1.509 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: CNC(=O)Nc1nc2c(s1)cccc2Cl
(2)InChI: InChI=1/C9H8ClN3OS/c1-11-8(14)13-9-12-7-5(10)3-2-4-6(7)15-9/h2-4H,1H3,(H2,11,12,13,14)
(3)InChIKey: LZDMPKQOIJDTQL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H8ClN3OS/c1-11-8(14)13-9-12-7-5(10)3-2-4-6(7)15-9/h2-4H,1H3,(H2,11,12,13,14)
(5)Std. InChIKey: LZDMPKQOIJDTQL-UHFFFAOYSA-N