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3-[2-(4-methoxybenzenesulfonamido)-1,3-thiazol-4-yl]propanoic acid

3-[2-(4-methoxybenzenesulfonamido)-1,3-thiazol-4-yl]propanoic acid

Formula: C13H14N2O5S2

SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC1=NC(CCC(O)=O)=CS1

IUPAC: 3-[2-(4-methoxybenzenesulfonamido)-1,3-thiazol-4-yl]propanoic acid

InChI: InChI=1S/C13H14N2O5S2/c1-20-10-3-5-11(6-4-10)22(18,19)15-13-14-9(8-21-13)2-7-12(16)17/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)

Composition: C (45.60%), H (4.12%), N (8.18%), O (23.36%), S (18.73%)

Molar Mass: 342.38

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 342.034413907
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey LUYUYNXNVLCHPX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.52
Topological Polar Surface Area 105.59
Polarizability 31.7
Ring Count 2
Rotatable Bond Count 6

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Life Chemicals USA, Inc.
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Purity LeadTime Formula PacketSize UnitPrice
95% <7 Days C13H14N2O5S2 $242.55-$3,230.37$242.55$431.64$769.23$1,538.46$2,307.69$3,230.37
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Purity LeadTime Formula UnitPrice
98% <10 Days C13H14N2O5S2 Quote Only
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