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Home > Other Heterocycles > 18502-58-4
18502-58-4 | 6-Oxa-3-thiabicyclo[3.1.0]hexane,1-methyl-, 3,3-dioxide
CAS No: 18502-58-4 Catalog No: AG0074QH MDL No:
Product Description
Catalog Number:
AG0074QH
Chemical Name:
6-Oxa-3-thiabicyclo[3.1.0]hexane,1-methyl-, 3,3-dioxide
CAS Number:
18502-58-4
Molecular Formula:
C5H8O3S
Molecular Weight:
148.1802
IUPAC Name:
1-methyl-6-oxa-3λ6-thiabicyclo[3.1.0]hexane 3,3-dioxide
InChI:
InChI=1S/C5H8O3S/c1-5-3-9(6,7)2-4(5)8-5/h4H,2-3H2,1H3
InChI Key:
YXKGOIYIAHKTKS-UHFFFAOYSA-N
SMILES:
CC12OC2CS(=O)(=O)C1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.019g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.176g/mol
Monoisotopic Mass:
148.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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