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methyl 3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-indole-2-carboxylate

methyl 3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-indole-2-carboxylate

CAS: 860612-09-5

Formula: C14H10N2O4S

SMILES: COC(=O)C1=C(C=C2SC(=O)NC2=O)C2=CC=CC=C2N1

IUPAC: methyl 3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1H-indole-2-carboxylate

InChI: InChI=1S/C14H10N2O4S/c1-20-13(18)11-8(6-10-12(17)16-14(19)21-10)7-4-2-3-5-9(7)15-11/h2-6,15H,1H3,(H,16,17,19)

Composition: C (55.62%), H (3.33%), N (9.27%), O (21.17%), S (10.61%)

Molar Mass: 302.3

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 302.036127984
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QVTYLMVJZLDILX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.21
Topological Polar Surface Area 88.26
Polarizability 30.77
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860612-09-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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