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Home > Other Heterocycles > 81591-82-4
81591-82-4 | 3,6-Dithiabicyclo[3.1.0]hexane, 3,3-dioxide
CAS No: 81591-82-4 Catalog No: AG0058EB MDL No:MFCD00195960
Product Description
Catalog Number:
AG0058EB
Chemical Name:
3,6-Dithiabicyclo[3.1.0]hexane, 3,3-dioxide
CAS Number:
81591-82-4
Molecular Formula:
C4H6O2S2
Molecular Weight:
150.2192
MDL Number:
MFCD00195960
IUPAC Name:
3λ6,6-dithiabicyclo[3.1.0]hexane 3,3-dioxide
InChI:
InChI=1S/C4H6O2S2/c5-8(6)1-3-4(2-8)7-3/h3-4H,1-2H2
InChI Key:
NMFLMOSITIQUNF-UHFFFAOYSA-N
SMILES:
O=S1(=O)CC2C(C1)S2
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.981g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.21g/mol
Monoisotopic Mass:
149.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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