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Home > Other Heterocycles > 7519-74-6
7519-74-6 | Bicyclo[2.2.1]heptane-2-thione,1,7,7-trimethyl-
CAS No: 7519-74-6 Catalog No: AG005CW3 MDL No:
Product Description
Catalog Number:
AG005CW3
Chemical Name:
Bicyclo[2.2.1]heptane-2-thione,1,7,7-trimethyl-
CAS Number:
7519-74-6
Molecular Formula:
C10H16S
Molecular Weight:
168.2990
IUPAC Name:
1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione
InChI:
InChI=1S/C10H16S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
InChI Key:
AAADKYXUTOBAGS-UHFFFAOYSA-N
SMILES:
S=C1CC2C(C1(C)CC2)(C)C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0
Isotope Atom Count:
0
Molecular Weight:
168.298g/mol
Monoisotopic Mass:
168.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Comparative analysis of IR and vibrational circular dichroism spectra for a series of camphor-related molecules. | The journal of physical chemistry. A 20091022 |
| Role of protein and substrate dynamics in catalysis by Pseudomonas putida cytochrome P450cam. | Biochemistry 20021210 |
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