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2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid

2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid

CAS: 17228-99-8

Formula: C11H9NO2S

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

IUPAC: 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)

Composition: C (60.26%), H (4.14%), N (6.39%), O (14.59%), S (14.62%)

Molar Mass: 219.26

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 219.035399708
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MTVWIZYQYPRZGZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.29
Topological Polar Surface Area 50.19
Polarizability 22.5
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
98% <10 Days 17228-99-8 Quote Only
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95% <2 Days 17228-99-8 $51.35-$120.18$51.35$63.37$75.38$86.31$120.18
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95% <5 Days 17228-99-8 $460.00$460.00
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