200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 808168-22-1
808168-22-1 | Bicyclo[2.2.2]octane-1-methanethiol
CAS No: 808168-22-1 Catalog No: AG0057X8 MDL No:
Product Description
Catalog Number:
AG0057X8
Chemical Name:
Bicyclo[2.2.2]octane-1-methanethiol
CAS Number:
808168-22-1
Molecular Formula:
C9H16S
Molecular Weight:
156.2883
IUPAC Name:
1-bicyclo[2.2.2]octanylmethanethiol
InChI:
InChI=1S/C9H16S/c10-7-9-4-1-8(2-5-9)3-6-9/h8,10H,1-7H2
InChI Key:
XTSMTHFLKSNAEX-UHFFFAOYSA-N
SMILES:
SCC12CCC(CC1)CC2
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.097g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.287g/mol
Monoisotopic Mass:
156.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
© 2019 Angene International Limited. All rights Reserved.