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3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]propanoic acid

3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]propanoic acid

CAS: 109164-38-7

Formula: C11H14N2O4S

SMILES: CC1=C(C)C(C(N)=O)=C(NC(=O)CCC(O)=O)S1

IUPAC: 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]propanoic acid

InChI: InChI=1S/C11H14N2O4S/c1-5-6(2)18-11(9(5)10(12)17)13-7(14)3-4-8(15)16/h3-4H2,1-2H3,(H2,12,17)(H,13,14)(H,15,16)

Composition: C (48.88%), H (5.22%), N (10.36%), O (23.68%), S (11.86%)

Molar Mass: 270.3

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 270.067428113
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey HAANHXDCIYFTLE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.26
Topological Polar Surface Area 109.49
Polarizability 24.63
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 109164-38-7 $404.27$404.27
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