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89648-96-4

89648-96-4 | Benzothiazole, 2-[[3-methyl-1-(2-methyl-1-propenyl)-3-pentenyl]thio]-

CAS No: 89648-96-4 Catalog No: AG003VGV MDL No:

Product Description

Catalog Number:
AG003VGV
Chemical Name:
Benzothiazole, 2-[[3-methyl-1-(2-methyl-1-propenyl)-3-pentenyl]thio]-
CAS Number:
89648-96-4
Molecular Formula:
C17H21NS2
Molecular Weight:
303.4853
IUPAC Name:
2-(2,6-dimethylocta-2,6-dien-4-ylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C17H21NS2/c1-5-13(4)11-14(10-12(2)3)19-17-18-15-8-6-7-9-16(15)20-17/h5-10,14H,11H2,1-4H3
InChI Key:
ZQHKFBGBHVWOSI-UHFFFAOYSA-N
SMILES:
CC=C(CC(Sc1nc2c(s1)cccc2)C=C(C)C)C

Properties

Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.112g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.482g/mol
Monoisotopic Mass:
303.112g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
1  
XLogP3:
6.6  

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