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2-(3,5-dimethylphenyl)-1,3-thiazole-4-carbaldehyde

2-(3,5-dimethylphenyl)-1,3-thiazole-4-carbaldehyde

CAS: 885278-96-6

Formula: C12H11NOS

SMILES: CC1=CC(=CC(C)=C1)C1=NC(C=O)=CS1

IUPAC: 2-(3,5-dimethylphenyl)-1,3-thiazole-4-carbaldehyde

InChI: InChI=1S/C12H11NOS/c1-8-3-9(2)5-10(4-8)12-13-11(6-14)7-15-12/h3-7H,1-2H3

Composition: C (66.33%), H (5.10%), N (6.45%), O (7.36%), S (14.75%)

Molar Mass: 217.29

Atom Count: 26

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 217.056135152
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LEGDBCOQDDGYRB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.65
Topological Polar Surface Area 29.96
Polarizability 23.81
Ring Count 2
Rotatable Bond Count 2

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