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ethyl 2-amino-5-[(4-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

ethyl 2-amino-5-[(4-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

CAS: 350989-56-9

Formula: C15H15ClN2O3S

SMILES: CCOC(=O)C1=C(N)SC(C(=O)NC2=CC=C(Cl)C=C2)=C1C

IUPAC: ethyl 2-amino-5-[(4-chlorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C15H15ClN2O3S/c1-3-21-15(20)11-8(2)12(22-13(11)17)14(19)18-10-6-4-9(16)5-7-10/h4-7H,3,17H2,1-2H3,(H,18,19)

Composition: C (53.18%), H (4.46%), Cl (10.46%), N (8.27%), O (14.17%), S (9.46%)

Molar Mass: 338.81

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 338.0491912
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey STKCJIQMTZBUQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.96
Topological Polar Surface Area 81.42
Polarizability 32.73
Ring Count 2
Rotatable Bond Count 5

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95% <10 Days 350989-56-9 $90.91-$237.53$90.91$149.56$237.53
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 350989-56-9 $65.00$65.00
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95% <2 Days 350989-56-9 $134.76$134.76
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