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Home > Other Heterocycles > 88195-44-2
88195-44-2 | Bicyclo[3.1.1]hept-2-ene-2-methanethiol, 6,6-dimethyl-, (1R)-
CAS No: 88195-44-2 Catalog No: AG004C7Z MDL No:
Product Description
Catalog Number:
AG004C7Z
Chemical Name:
Bicyclo[3.1.1]hept-2-ene-2-methanethiol, 6,6-dimethyl-, (1R)-
CAS Number:
88195-44-2
Molecular Formula:
C10H16S
Molecular Weight:
168.2990
IUPAC Name:
[(1R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanethiol
InChI:
InChI=1S/C10H16S/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8?,9-/m0/s1
InChI Key:
VEISAPSJRVBVNT-GKAPJAKFSA-N
SMILES:
SCC1=CCC2C[C@@H]1C2(C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
168.097g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.298g/mol
Monoisotopic Mass:
168.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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