200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 76312-48-6
76312-48-6 | 1,3-Dithiolane, 2-(4-methylphenyl)-2-phenyl-
CAS No: 76312-48-6 Catalog No: AG0056EM MDL No:
Product Description
Catalog Number:
AG0056EM
Chemical Name:
1,3-Dithiolane, 2-(4-methylphenyl)-2-phenyl-
CAS Number:
76312-48-6
Molecular Formula:
C16H16S2
Molecular Weight:
272.4282
IUPAC Name:
2-(4-methylphenyl)-2-phenyl-1,3-dithiolane
InChI:
InChI=1S/C16H16S2/c1-13-7-9-15(10-8-13)16(17-11-12-18-16)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChI Key:
FPIGXBJIZHUZQD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1(SCCS1)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.424g/mol
Monoisotopic Mass:
272.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.