200,000+ products from a single source!
sales@angenechem.com
89648-79-3 | Benzothiazole, 2-[(2-methyl-2-pentenyl)dithio]-
CAS No: 89648-79-3 Catalog No: AG003VR2 MDL No:
Product Description
Catalog Number:
AG003VR2
Chemical Name:
Benzothiazole, 2-[(2-methyl-2-pentenyl)dithio]-
CAS Number:
89648-79-3
Molecular Formula:
C13H15NS3
Molecular Weight:
281.4599
IUPAC Name:
2-(2-methylpent-2-enyldisulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H15NS3/c1-3-6-10(2)9-15-17-13-14-11-7-4-5-8-12(11)16-13/h4-8H,3,9H2,1-2H3
InChI Key:
ZSUIFPPOAMSXOQ-UHFFFAOYSA-N
SMILES:
CCC=C(CSSc1nc2c(s1)cccc2)C
Properties
Complexity:
267
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:
5
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.