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Home > Other Heterocycles > 130695-53-3
130695-53-3 | Bicyclo[2.2.1]heptane-2-thiol, 1,7,7-trimethyl-, (1S,2S,4S)-
CAS No: 130695-53-3 Catalog No: AG000UT6 MDL No:
Product Description
Catalog Number:
AG000UT6
Chemical Name:
Bicyclo[2.2.1]heptane-2-thiol, 1,7,7-trimethyl-, (1S,2S,4S)-
CAS Number:
130695-53-3
Molecular Formula:
C10H18S
Molecular Weight:
170.3149
IUPAC Name:
1,7,7-trimethylbicyclo[2.2.1]heptane-2-thiol
InChI:
InChI=1S/C10H18S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
InChI Key:
YZBDTMJKESVEBP-UHFFFAOYSA-N
SMILES:
S[C@H]1C[C@H]2C([C@]1(C)CC2)(C)C
NSC Number:
3209
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:
3.7
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