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Home > Other Heterocycles > 19740-89-7
19740-89-7 | 9-Thiabicyclo[4.2.1]nonane-2,5-diol, stereoisomer (8CI)
CAS No: 19740-89-7 Catalog No: AG002AT4 MDL No:
Product Description
Catalog Number:
AG002AT4
Chemical Name:
9-Thiabicyclo[4.2.1]nonane-2,5-diol, stereoisomer (8CI)
CAS Number:
19740-89-7
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
IUPAC Name:
9-thiabicyclo[4.2.1]nonane-2,5-diol
InChI:
InChI=1S/C8H14O2S/c9-5-1-2-6(10)8-4-3-7(5)11-8/h5-10H,1-4H2
InChI Key:
GCJMTGFOVFQVGL-UHFFFAOYSA-N
SMILES:
OC1CCC(C2SC1CC2)O
NSC Number:
117407
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.258g/mol
Monoisotopic Mass:
174.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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