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Home > Other Heterocycles > 115018-95-6
115018-95-6 | 2,3-Dithiabicyclo[2.2.1]hept-5-ene
CAS No: 115018-95-6 Catalog No: AG000FOW MDL No:
Product Description
Catalog Number:
AG000FOW
Chemical Name:
2,3-Dithiabicyclo[2.2.1]hept-5-ene
CAS Number:
115018-95-6
Molecular Formula:
C5H6S2
Molecular Weight:
130.2311
IUPAC Name:
2,3-dithiabicyclo[2.2.1]hept-5-ene
InChI:
InChI=1S/C5H6S2/c1-2-5-3-4(1)6-7-5/h1-2,4-5H,3H2
InChI Key:
OFRCFBVKVAUBQM-UHFFFAOYSA-N
SMILES:
S1SC2CC1C=C2
Properties
Complexity:
96.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.991g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.223g/mol
Monoisotopic Mass:
129.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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