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Home > Other Heterocycles > 89572-14-5
89572-14-5 | Spiro[1,3-benzodithiole-2,1'-cyclohexane], 1-oxide
CAS No: 89572-14-5 Catalog No: AG003Z99 MDL No:
Product Description
Catalog Number:
AG003Z99
Chemical Name:
Spiro[1,3-benzodithiole-2,1'-cyclohexane], 1-oxide
CAS Number:
89572-14-5
Molecular Formula:
C12H14OS2
Molecular Weight:
238.3690
IUPAC Name:
spiro[1λ4,3-benzodithiole-2,1'-cyclohexane] 1-oxide
InChI:
InChI=1S/C12H14OS2/c13-15-11-7-3-2-6-10(11)14-12(15)8-4-1-5-9-12/h2-3,6-7H,1,4-5,8-9H2
InChI Key:
OFMSWHNGIUPQEG-UHFFFAOYSA-N
SMILES:
O=S1c2ccccc2SC21CCCCC2
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.363g/mol
Monoisotopic Mass:
238.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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