200,000+ products from a single source!
sales@angenechem.com
139996-18-2 | Benzene, 1-bromo-4-(pentylthio)-
CAS No: 139996-18-2 Catalog No: AG001BWM MDL No:
Product Description
Catalog Number:
AG001BWM
Chemical Name:
Benzene, 1-bromo-4-(pentylthio)-
CAS Number:
139996-18-2
Molecular Formula:
C11H15BrS
Molecular Weight:
259.2058
IUPAC Name:
1-bromo-4-pentylsulfanylbenzene
InChI:
InChI=1S/C11H15BrS/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8H,2-4,9H2,1H3
InChI Key:
RUVIDSKMOUKFIY-UHFFFAOYSA-N
SMILES:
CCCCCSc1ccc(cc1)Br
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.205g/mol
Monoisotopic Mass:
258.008g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.