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Home > Other Heterocycles > 6435-99-0
6435-99-0 | 9-Thiabicyclo[3.3.1]non-6-ene-2-carboxamide
CAS No: 6435-99-0 Catalog No: AG00H8BB MDL No:MFCD24506955
Product Description
Catalog Number:
AG00H8BB
Chemical Name:
9-Thiabicyclo[3.3.1]non-6-ene-2-carboxamide
CAS Number:
6435-99-0
Molecular Formula:
C9H13NOS
Molecular Weight:
183.2706
MDL Number:
MFCD24506955
IUPAC Name:
9-thiabicyclo[3.3.1]non-6-ene-2-carboxamide
InChI:
InChI=1S/C9H13NOS/c10-9(11)7-5-4-6-2-1-3-8(7)12-6/h1-2,6-8H,3-5H2,(H2,10,11)
InChI Key:
AUYLZHRBWVPIJL-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCC2SC1CC=C2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.269g/mol
Monoisotopic Mass:
183.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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