200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 130624-11-2
130624-11-2 | 1,3-Dithiane, 5-cyclobutyl-2-(4-ethynylphenyl)-, trans-
CAS No: 130624-11-2 Catalog No: AG000UQ3 MDL No:
Product Description
Catalog Number:
AG000UQ3
Chemical Name:
1,3-Dithiane, 5-cyclobutyl-2-(4-ethynylphenyl)-, trans-
CAS Number:
130624-11-2
Molecular Formula:
C16H18S2
Molecular Weight:
274.4441
IUPAC Name:
5-cyclobutyl-2-(4-ethynylphenyl)-1,3-dithiane
InChI:
InChI=1S/C16H18S2/c1-2-12-6-8-14(9-7-12)16-17-10-15(11-18-16)13-4-3-5-13/h1,6-9,13,15-16H,3-5,10-11H2
InChI Key:
HCMMHPZCCTXRSS-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)[C@@H]1SC[C@H](CS1)C1CCC1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.44g/mol
Monoisotopic Mass:
274.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.