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4H,6H,7H-pyrano[4,3-d][1,3]thiazole-2-carbaldehyde

4H,6H,7H-pyrano[4,3-d][1,3]thiazole-2-carbaldehyde

CAS: 1339178-64-1

Formula: C7H7NO2S

SMILES: O=CC1=NC2=C(COCC2)S1

IUPAC: 4H,6H,7H-pyrano[4,3-d][1,3]thiazole-2-carbaldehyde

InChI: InChI=1S/C7H7NO2S/c9-3-7-8-5-1-2-10-4-6(5)11-7/h3H,1-2,4H2

Composition: C (49.69%), H (4.17%), N (8.28%), O (18.91%), S (18.95%)

Molar Mass: 169.2

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 169.019749643
Formal Charge 0
FSP3 0.43
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FRKPPSJVZYIRPN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.4
Topological Polar Surface Area 39.19
Polarizability 15.52
Ring Count 2
Rotatable Bond Count 1

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