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Home > Other Heterocycles > 72110-26-0
72110-26-0 | 5-Thiabicyclo[2.1.0]pent-2-ene
CAS No: 72110-26-0 Catalog No: AG006AFC MDL No:
Product Description
Catalog Number:
AG006AFC
Chemical Name:
5-Thiabicyclo[2.1.0]pent-2-ene
CAS Number:
72110-26-0
Molecular Formula:
C4H4S
Molecular Weight:
84.1396
IUPAC Name:
5-thiabicyclo[2.1.0]pent-2-ene
InChI:
InChI=1S/C4H4S/c1-2-4-3(1)5-4/h1-4H
InChI Key:
CYDPYRCCLIKLBI-UHFFFAOYSA-N
SMILES:
C1=CC2C1S2
Properties
Complexity:
75.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.003g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
84.136g/mol
Monoisotopic Mass:
84.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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