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Home > Other Heterocycles > 30682-21-4
30682-21-4 | 3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene, 13-methyl-
CAS No: 30682-21-4 Catalog No: AG0030ST MDL No:
Product Description
Catalog Number:
AG0030ST
Chemical Name:
3,7-Dithiabicyclo[7.3.1]trideca-1(13),9,11-triene, 13-methyl-
CAS Number:
30682-21-4
Molecular Formula:
C12H16S2
Molecular Weight:
224.3854
IUPAC Name:
13-methyl-3,7-dithiabicyclo[7.3.1]trideca-1(13),9,11-triene
InChI:
InChI=1S/C12H16S2/c1-10-11-4-2-5-12(10)9-14-7-3-6-13-8-11/h2,4-5H,3,6-9H2,1H3
InChI Key:
ZTPKXFHBCQMFRX-UHFFFAOYSA-N
SMILES:
Cc1c2CSCCCSCc1ccc2
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.38g/mol
Monoisotopic Mass:
224.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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