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Home > Other Heterocycles > 136708-44-6
136708-44-6 | Bicyclo[2.2.1]hepta-2,5-diene, 7-(methylthio)-
CAS No: 136708-44-6 Catalog No: AG001298 MDL No:
Product Description
Catalog Number:
AG001298
Chemical Name:
Bicyclo[2.2.1]hepta-2,5-diene, 7-(methylthio)-
CAS Number:
136708-44-6
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
IUPAC Name:
7-methylsulfanylbicyclo[2.2.1]hepta-2,5-diene
InChI:
InChI=1S/C8H10S/c1-9-8-6-2-3-7(8)5-4-6/h2-8H,1H3
InChI Key:
WMJMBMGLARYTJN-UHFFFAOYSA-N
SMILES:
CSC1C2C=CC1C=C2
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.05g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.228g/mol
Monoisotopic Mass:
138.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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