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Home > Other Heterocycles > 168076-72-0
168076-72-0 | 8-Oxa-4-thia-3,5-diazabicyclo[5.1.0]octane (9CI)
CAS No: 168076-72-0 Catalog No: AG001XSJ MDL No:
Product Description
Catalog Number:
AG001XSJ
Chemical Name:
8-Oxa-4-thia-3,5-diazabicyclo[5.1.0]octane (9CI)
CAS Number:
168076-72-0
Molecular Formula:
C4H8N2OS
Molecular Weight:
132.1841
IUPAC Name:
8-oxa-4-thia-3,5-diazabicyclo[5.1.0]octane
InChI:
InChI=1S/C4H8N2OS/c1-3-4(7-3)2-6-8-5-1/h3-6H,1-2H2
InChI Key:
KSHOUEQRGLVSBX-UHFFFAOYSA-N
SMILES:
S1NCC2C(CN1)O2
Properties
Complexity:
90
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.036g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.181g/mol
Monoisotopic Mass:
132.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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