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Home > Other Heterocycles > 83369-49-7
83369-49-7 | 2-Thiabicyclo[2.2.2]oct-5-ene-4-carbonitrile, 3-(hydroxyimino)-
CAS No: 83369-49-7 Catalog No: AG004S59 MDL No:
Product Description
Catalog Number:
AG004S59
Chemical Name:
2-Thiabicyclo[2.2.2]oct-5-ene-4-carbonitrile, 3-(hydroxyimino)-
CAS Number:
83369-49-7
Molecular Formula:
C8H8N2OS
Molecular Weight:
180.2269
IUPAC Name:
3-hydroxyimino-2-thiabicyclo[2.2.2]oct-5-ene-4-carbonitrile
InChI:
InChI=1S/C8H8N2OS/c9-5-8-3-1-6(2-4-8)12-7(8)10-11/h1,3,6,11H,2,4H2
InChI Key:
MTCSGVIEWOXRNK-UHFFFAOYSA-N
SMILES:
ON=C1SC2CCC1(C=C2)C#N
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.225g/mol
Monoisotopic Mass:
180.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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