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3-phenyl-2-(thiophene-2-sulfonamido)propanoic acid

3-phenyl-2-(thiophene-2-sulfonamido)propanoic acid

CAS: 82068-16-4

Formula: C13H13NO4S2

SMILES: OC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C1=CC=CS1

IUPAC: 3-phenyl-2-(thiophene-2-sulfonamido)propanoic acid

InChI: InChI=1/C13H13NO4S2/c15-13(16)11(9-10-5-2-1-3-6-10)14-20(17,18)12-7-4-8-19-12/h1-8,11,14H,9H2,(H,15,16)

Composition: C (50.15%), H (4.21%), N (4.50%), O (20.55%), S (20.59%)

Molar Mass: 311.37

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 311.028600251
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NQNOZBXLAORQQT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.58
Topological Polar Surface Area 83.47
Polarizability 30
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 82068-16-4 $190.37$190.37
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