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Home > Other Heterocycles > 115187-02-5
115187-02-5 | 8-Oxa-3-thiabicyclo[5.1.0]octane (9CI)
CAS No: 115187-02-5 Catalog No: AG000GE5 MDL No:
Product Description
Catalog Number:
AG000GE5
Chemical Name:
8-Oxa-3-thiabicyclo[5.1.0]octane (9CI)
CAS Number:
115187-02-5
Molecular Formula:
C6H10OS
Molecular Weight:
130.2080
IUPAC Name:
8-oxa-3-thiabicyclo[5.1.0]octane
InChI:
InChI=1S/C6H10OS/c1-2-5-6(7-5)4-8-3-1/h5-6H,1-4H2
InChI Key:
LTDRFCRRZPRGTJ-UHFFFAOYSA-N
SMILES:
C1CCC2C(CS1)O2
Properties
Complexity:
94.5
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:
37.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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