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Home > Other Heterocycles > 138686-43-8
138686-43-8 | 4-Thia-1-azabicyclo[4.2.0]oct-2-en-8-one, (S)- (9CI)
CAS No: 138686-43-8 Catalog No: AG00190E MDL No:
Product Description
Catalog Number:
AG00190E
Chemical Name:
4-Thia-1-azabicyclo[4.2.0]oct-2-en-8-one, (S)- (9CI)
CAS Number:
138686-43-8
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
IUPAC Name:
4-thia-1-azabicyclo[4.2.0]oct-2-en-8-one
InChI:
InChI=1S/C6H7NOS/c8-6-3-5-4-9-2-1-7(5)6/h1-2,5H,3-4H2
InChI Key:
FBJJQJPATFMMEV-UHFFFAOYSA-N
SMILES:
O=C1C[C@@H]2N1C=CSC2
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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