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Home > Other Heterocycles > 89892-76-2
89892-76-2 | Bicyclo[2.2.1]heptane-2,6-dithiol
CAS No: 89892-76-2 Catalog No: AG006OW2 MDL No:MFCD18812737
Product Description
Catalog Number:
AG006OW2
Chemical Name:
Bicyclo[2.2.1]heptane-2,6-dithiol
CAS Number:
89892-76-2
Molecular Formula:
C7H12S2
Molecular Weight:
160.3002
MDL Number:
MFCD18812737
IUPAC Name:
bicyclo[2.2.1]heptane-2,6-dithiol
InChI:
InChI=1S/C7H12S2/c8-6-2-4-1-5(6)7(9)3-4/h4-9H,1-3H2
InChI Key:
FFQIEEZJIHXEIC-UHFFFAOYSA-N
SMILES:
SC1CC2CC1C(C2)S
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.293g/mol
Monoisotopic Mass:
160.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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