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Home > Other Heterocycles > 130184-19-9
130184-19-9 | 6-Oxa-3,9-dithiabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CAS No: 130184-19-9 Catalog No: AG000U44 MDL No:
Product Description
Catalog Number:
AG000U44
Chemical Name:
6-Oxa-3,9-dithiabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CAS Number:
130184-19-9
Molecular Formula:
C12H16OS2
Molecular Weight:
240.3848
IUPAC Name:
6-oxa-3,9-dithiabicyclo[9.3.1]pentadeca-1(15),11,13-triene
InChI:
InChI=1S/C12H16OS2/c1-2-11-8-12(3-1)10-15-7-5-13-4-6-14-9-11/h1-3,8H,4-7,9-10H2
InChI Key:
FFJVWROXKBHBGI-UHFFFAOYSA-N
SMILES:
C1COCCSCc2cc(CS1)ccc2
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.379g/mol
Monoisotopic Mass:
240.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Crystal structure of 6-oxa-3,9-dithiabicyclo[9.3.1]pentadeca-1(15),11,13-triene. | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20010501 |
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