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Home > Other Heterocycles > 24173-42-0
24173-42-0 | 9-Thiabicyclo[3.3.1]non-6-en-2-one
CAS No: 24173-42-0 Catalog No: AG006X6B MDL No:MFCD24691833
Product Description
Catalog Number:
AG006X6B
Chemical Name:
9-Thiabicyclo[3.3.1]non-6-en-2-one
CAS Number:
24173-42-0
Molecular Formula:
C8H10OS
Molecular Weight:
154.2294
MDL Number:
MFCD24691833
IUPAC Name:
9-thiabicyclo[3.3.1]non-6-en-2-one
InChI:
InChI=1S/C8H10OS/c9-7-5-4-6-2-1-3-8(7)10-6/h1-2,6,8H,3-5H2
InChI Key:
ORWLXUODHIADAQ-UHFFFAOYSA-N
SMILES:
O=C1CCC2SC1CC=C2
NSC Number:
167077
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.045g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.227g/mol
Monoisotopic Mass:
154.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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