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89648-80-6

89648-80-6 | Benzothiazole, 2-[(2-methyl-2-pentenyl)thio]-

CAS No: 89648-80-6 Catalog No: AG003VH1 MDL No:

Product Description

Catalog Number:
AG003VH1
Chemical Name:
Benzothiazole, 2-[(2-methyl-2-pentenyl)thio]-
CAS Number:
89648-80-6
Molecular Formula:
C13H15NS2
Molecular Weight:
249.3949
IUPAC Name:
2-(2-methylpent-2-enylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H15NS2/c1-3-6-10(2)9-15-13-14-11-7-4-5-8-12(11)16-13/h4-8H,3,9H2,1-2H3
InChI Key:
DHZJLMYOTJEDSO-UHFFFAOYSA-N
SMILES:
CCC=C(CSc1nc2c(s1)cccc2)C

Properties

Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.065g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.39g/mol
Monoisotopic Mass:
249.065g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
5  

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