200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 77026-99-4
77026-99-4 | Bicyclo[2.2.1]heptan-2-one, 1-(mercaptomethyl)-7,7-dimethyl-, (1S,4R)-
CAS No: 77026-99-4 Catalog No: AG005RCL MDL No:
Product Description
Catalog Number:
AG005RCL
Chemical Name:
Bicyclo[2.2.1]heptan-2-one, 1-(mercaptomethyl)-7,7-dimethyl-, (1S,4R)-
CAS Number:
77026-99-4
Molecular Formula:
C10H16OS
Molecular Weight:
184.2984
IUPAC Name:
(1S,4R)-7,7-dimethyl-1-(sulfanylmethyl)bicyclo[2.2.1]heptan-2-one
InChI:
InChI=1S/C10H16OS/c1-9(2)7-3-4-10(9,6-12)8(11)5-7/h7,12H,3-6H2,1-2H3/t7-,10-/m1/s1
InChI Key:
POWJRXPBPVKCAI-GMSGAONNSA-N
SMILES:
SC[C@]12CC[C@@H](C2(C)C)CC1=O
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
184.092g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.297g/mol
Monoisotopic Mass:
184.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
© 2019 Angene International Limited. All rights Reserved.