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Home > Other Heterocycles > 94089-04-0
94089-04-0 | 2,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTANE-2-THIOL
CAS No: 94089-04-0 Catalog No: AG006879 MDL No:
Product Description
Catalog Number:
AG006879
Chemical Name:
2,3,3-TRIMETHYLBICYCLO[2.2.1]HEPTANE-2-THIOL
CAS Number:
94089-04-0
Molecular Formula:
C10H18S
Molecular Weight:
170.3149
IUPAC Name:
2,3,3-trimethylbicyclo[2.2.1]heptane-2-thiol
InChI:
InChI=1S/C10H18S/c1-9(2)7-4-5-8(6-7)10(9,3)11/h7-8,11H,4-6H2,1-3H3
InChI Key:
DYSMZFZOVYDRLT-UHFFFAOYSA-N
SMILES:
CC1(C)C2CCC(C1(C)S)C2
EC Number:
302-107-0
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.113g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.314g/mol
Monoisotopic Mass:
170.113g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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