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Home > Other Heterocycles > 23088-83-7
23088-83-7 | 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
CAS No: 23088-83-7 Catalog No: AG002M5Q MDL No:
Product Description
Catalog Number:
AG002M5Q
Chemical Name:
3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
CAS Number:
23088-83-7
Molecular Formula:
C11H14S2
Molecular Weight:
210.3589
IUPAC Name:
3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
InChI:
InChI=1S/C11H14S2/c1-3-10-7-11(4-1)9-13-6-2-5-12-8-10/h1,3-4,7H,2,5-6,8-9H2
InChI Key:
UDVUVDFCVYPFNO-UHFFFAOYSA-N
SMILES:
C1CCSCc2cc(CS1)ccc2
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.353g/mol
Monoisotopic Mass:
210.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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