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Home > Other Heterocycles > 6841-59-4
6841-59-4 | 2-Thiabicyclo[2.2.1]hept-5-ene
CAS No: 6841-59-4 Catalog No: AG0063ZE MDL No:
Product Description
Catalog Number:
AG0063ZE
Chemical Name:
2-Thiabicyclo[2.2.1]hept-5-ene
CAS Number:
6841-59-4
Molecular Formula:
C6H8S
Molecular Weight:
112.1927
IUPAC Name:
2-thiabicyclo[2.2.1]hept-5-ene
InChI:
InChI=1S/C6H8S/c1-2-6-3-5(1)4-7-6/h1-2,5-6H,3-4H2
InChI Key:
PTOYXSATXWFOIV-UHFFFAOYSA-N
SMILES:
S1CC2CC1C=C2
Properties
Complexity:
107
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.035g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.19g/mol
Monoisotopic Mass:
112.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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