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ethyl 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,3,4-thiadiazole-2-carboxylate

ethyl 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,3,4-thiadiazole-2-carboxylate

CAS: 1142210-15-8

Formula: C9H9N5O3S2

SMILES: CCOC(=O)C1=NN=C(S1)C(=O)NC1=NN=C(C)S1

IUPAC: ethyl 5-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]-1,3,4-thiadiazole-2-carboxylate

InChI: InChI=1S/C9H9N5O3S2/c1-3-17-8(16)7-13-12-6(19-7)5(15)10-9-14-11-4(2)18-9/h3H2,1-2H3,(H,10,14,15)

Composition: C (36.11%), H (3.03%), N (23.40%), O (16.04%), S (21.42%)

Molar Mass: 299.32

Atom Count: 28

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 299.014681518
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey OMISVNHCYXTZOO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.9
Topological Polar Surface Area 106.96
Polarizability 25.23
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1142210-15-8 $269.51$269.51
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