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Home > Other Heterocycles > 21386-28-7
21386-28-7 | 7-Thiabicyclo[4.1.0]heptane, 7-oxide
CAS No: 21386-28-7 Catalog No: AG0072KV MDL No:
Product Description
Catalog Number:
AG0072KV
Chemical Name:
7-Thiabicyclo[4.1.0]heptane, 7-oxide
CAS Number:
21386-28-7
Molecular Formula:
C6H10OS
Molecular Weight:
130.2080
IUPAC Name:
7λ4-thiabicyclo[4.1.0]heptane 7-oxide
InChI:
InChI=1S/C6H10OS/c7-8-5-3-1-2-4-6(5)8/h5-6H,1-4H2
InChI Key:
KYVRXNCVKUHLPM-UHFFFAOYSA-N
SMILES:
O=S1C2C1CCCC2
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.045g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.205g/mol
Monoisotopic Mass:
130.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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