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Home > Other Heterocycles > 106182-78-9
106182-78-9 | 2,6,7-Trithiabicyclo[2.2.1]heptane, 1-phenyl-
CAS No: 106182-78-9 Catalog No: AG007DK2 MDL No:
Product Description
Catalog Number:
AG007DK2
Chemical Name:
2,6,7-Trithiabicyclo[2.2.1]heptane, 1-phenyl-
CAS Number:
106182-78-9
Molecular Formula:
C10H10S3
Molecular Weight:
226.3814
IUPAC Name:
1-phenyl-2,6,7-trithiabicyclo[2.2.1]heptane
InChI:
InChI=1S/C10H10S3/c1-2-4-8(5-3-1)10-11-6-9(13-10)7-12-10/h1-5,9H,6-7H2
InChI Key:
HKMGCAXTGANEFO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12SCC(S2)CS1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.37g/mol
Monoisotopic Mass:
225.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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