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1,2-thiazole-3-carboxylic acid

1,2-thiazole-3-carboxylic acid

CAS: 4576-90-3

Formula: C4H3NO2S

SMILES: OC(=O)C1=NSC=C1

IUPAC: 1,2-thiazole-3-carboxylic acid

InChI: InChI=1S/C4H3NO2S/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)

Composition: C (37.21%), H (2.34%), N (10.85%), O (24.78%), S (24.83%)

Molar Mass: 129.13

Atom Count: 11

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 128.988449515
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BMPVWNJQCJQBFW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 28.88
Topological Polar Surface Area 50.19
Polarizability 10.65
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
98.57% <7 Days 4576-90-3 $69.19-$303.88$69.19$121.55$303.88
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 4576-90-3 $739.00-$960.00$739.00$960.00
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96% <2 Days 4576-90-3 $143.75-$2,290.80$143.75$171.35$227.70$342.70$572.70$2,290.80
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