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89649-02-5 | Benzothiazole, 2-[(1,3-dimethyl-2-butenyl)dithio]-
CAS No: 89649-02-5 Catalog No: AG003VV4 MDL No:
Product Description
Catalog Number:
AG003VV4
Chemical Name:
Benzothiazole, 2-[(1,3-dimethyl-2-butenyl)dithio]-
CAS Number:
89649-02-5
Molecular Formula:
C13H15NS3
Molecular Weight:
281.4599
IUPAC Name:
2-(4-methylpent-3-en-2-yldisulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H15NS3/c1-9(2)8-10(3)16-17-13-14-11-6-4-5-7-12(11)15-13/h4-8,10H,1-3H3
InChI Key:
BYCTUGVNAQTWKY-UHFFFAOYSA-N
SMILES:
CC(=CC(SSc1nc2c(s1)cccc2)C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.45g/mol
Monoisotopic Mass:
281.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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