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Home > Other Heterocycles > 116233-88-6
116233-88-6 | 2-Thiabicyclo[2.2.1]hept-5-ene, 3-methyl-
CAS No: 116233-88-6 Catalog No: AG000BZV MDL No:
Product Description
Catalog Number:
AG000BZV
Chemical Name:
2-Thiabicyclo[2.2.1]hept-5-ene, 3-methyl-
CAS Number:
116233-88-6
Molecular Formula:
C7H10S
Molecular Weight:
126.2193
IUPAC Name:
3-methyl-2-thiabicyclo[2.2.1]hept-5-ene
InChI:
InChI=1S/C7H10S/c1-5-6-2-3-7(4-6)8-5/h2-3,5-7H,4H2,1H3
InChI Key:
GRYHJNNNNMTGKW-UHFFFAOYSA-N
SMILES:
CC1SC2CC1C=C2
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.05g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.217g/mol
Monoisotopic Mass:
126.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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