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22362-53-4 | 4H-thiochromeno[3,4-d][1,2]oxazole
CAS No: 22362-53-4 Catalog No: AG01BCFF MDL No:MFCD03618424
Product Description
Catalog Number:
AG01BCFF
Chemical Name:
4H-thiochromeno[3,4-d][1,2]oxazole
CAS Number:
22362-53-4
Molecular Formula:
C10H7NOS
Molecular Weight:
189.2337
MDL Number:
MFCD03618424
IUPAC Name:
4H-thiochromeno[3,4-d][1,2]oxazole
InChI:
InChI=1S/C10H7NOS/c1-2-4-9-8(3-1)10-7(6-13-9)5-11-12-10/h1-5H,6H2
InChI Key:
WFUBBGWFNNZXRY-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1oncc1CS2
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.232g/mol
Monoisotopic Mass:
189.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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