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

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

CAS: 1142209-48-0

Formula: C10H11N5O3S2

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

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

InChI: InChI=1S/C10H11N5O3S2/c1-3-5-12-15-10(19-5)11-6(16)7-13-14-8(20-7)9(17)18-4-2/h3-4H2,1-2H3,(H,11,15,16)

Composition: C (38.33%), H (3.54%), N (22.35%), O (15.32%), S (20.46%)

Molar Mass: 313.35

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 313.030331582
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey HOFMVQRDWGIOJM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.52
Topological Polar Surface Area 106.96
Polarizability 27.04
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1142209-48-0 $202.14$202.14
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