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Home > Other Heterocycles > 87314-35-0
87314-35-0 | 7-Thiabicyclo[4.1.0]hepta-2,4-diene
CAS No: 87314-35-0 Catalog No: AG004OPZ MDL No:
Product Description
Catalog Number:
AG004OPZ
Chemical Name:
7-Thiabicyclo[4.1.0]hepta-2,4-diene
CAS Number:
87314-35-0
Molecular Formula:
C6H6S
Molecular Weight:
110.1768
IUPAC Name:
7-thiabicyclo[4.1.0]hepta-2,4-diene
InChI:
InChI=1S/C6H6S/c1-2-4-6-5(3-1)7-6/h1-6H
InChI Key:
IXKVYKPPJAWZLH-UHFFFAOYSA-N
SMILES:
C1=CC2C(C=C1)S2
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.019g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.174g/mol
Monoisotopic Mass:
110.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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