200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 128261-64-3
128261-64-3 | Bicyclo[3.1.1]hept-3-en-2-one, 6,6-dimethyl-3-(phenylthio)-, (1R)- (9CI)
CAS No: 128261-64-3 Catalog No: AG000XX0 MDL No:
Product Description
Catalog Number:
AG000XX0
Chemical Name:
Bicyclo[3.1.1]hept-3-en-2-one, 6,6-dimethyl-3-(phenylthio)-, (1R)- (9CI)
CAS Number:
128261-64-3
Molecular Formula:
C15H16OS
Molecular Weight:
244.3519
IUPAC Name:
6,6-dimethyl-3-phenylsulfanylbicyclo[3.1.1]hept-3-en-2-one
InChI:
InChI=1S/C15H16OS/c1-15(2)10-8-12(15)14(16)13(9-10)17-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChI Key:
PVMOXUXEQOMBAP-UHFFFAOYSA-N
SMILES:
O=C1C(=CC2C[C@@H]1C2(C)C)Sc1ccccc1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.092g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.352g/mol
Monoisotopic Mass:
244.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.