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89648-84-0 | Benzothiazole, 2-[(1,3-dimethyl-2-butenyl)thio]-
CAS No: 89648-84-0 Catalog No: AG003VGZ MDL No:
Product Description
Catalog Number:
AG003VGZ
Chemical Name:
Benzothiazole, 2-[(1,3-dimethyl-2-butenyl)thio]-
CAS Number:
89648-84-0
Molecular Formula:
C13H15NS2
Molecular Weight:
249.3949
IUPAC Name:
2-(4-methylpent-3-en-2-ylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H15NS2/c1-9(2)8-10(3)15-13-14-11-6-4-5-7-12(11)16-13/h4-8,10H,1-3H3
InChI Key:
GPEBUSFKCQQOBY-UHFFFAOYSA-N
SMILES:
CC(=CC(Sc1nc2c(s1)cccc2)C)C
Properties
Complexity:
261
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:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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