200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 139259-46-4
139259-46-4 | Bicyclo[8.1.0]undec-5-en-2-ol, 1,5,8,8-tetramethyl-4-(phenylthio)-
CAS No: 139259-46-4 Catalog No: AG001AKK MDL No:
Product Description
Catalog Number:
AG001AKK
Chemical Name:
Bicyclo[8.1.0]undec-5-en-2-ol, 1,5,8,8-tetramethyl-4-(phenylthio)-
CAS Number:
139259-46-4
Molecular Formula:
C21H30OS
Molecular Weight:
330.5273
IUPAC Name:
1,5,8,8-tetramethyl-4-phenylsulfanylbicyclo[8.1.0]undec-5-en-2-ol
InChI:
InChI=1S/C21H30OS/c1-15-10-11-20(2,3)13-16-14-21(16,4)19(22)12-18(15)23-17-8-6-5-7-9-17/h5-10,16,18-19,22H,11-14H2,1-4H3
InChI Key:
ZWJUEIPHCDSWCD-UHFFFAOYSA-N
SMILES:
OC1CC(Sc2ccccc2)C(=CCC(CC2C1(C)C2)(C)C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.202g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.53g/mol
Monoisotopic Mass:
330.202g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
5.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.