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158560-72-6 | 1H-Thieno[2,3-b][1,4]oxazin-2(3H)-one
CAS No: 158560-72-6 Catalog No: AG001QA3 MDL No:
Product Description
Catalog Number:
AG001QA3
Chemical Name:
1H-Thieno[2,3-b][1,4]oxazin-2(3H)-one
CAS Number:
158560-72-6
Molecular Formula:
C6H5NO2S
Molecular Weight:
155.1744
IUPAC Name:
1H-thieno[2,3-b][1,4]oxazin-2-one
InChI:
InChI=1S/C6H5NO2S/c8-5-3-9-6-4(7-5)1-2-10-6/h1-2H,3H2,(H,7,8)
InChI Key:
NWZGTMFBQTXYPI-UHFFFAOYSA-N
SMILES:
C1Oc2sccc2NC1=O
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.004g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.171g/mol
Monoisotopic Mass:
155.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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