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methyl 3-(1,2,3-thiadiazole-4-amido)thiophene-2-carboxylate

methyl 3-(1,2,3-thiadiazole-4-amido)thiophene-2-carboxylate

CAS: 478261-72-2

Formula: C9H7N3O3S2

SMILES: COC(=O)C1=C(NC(=O)C2=CSN=N2)C=CS1

IUPAC: methyl 3-(1,2,3-thiadiazole-4-amido)thiophene-2-carboxylate

InChI: InChI=1S/C9H7N3O3S2/c1-15-9(14)7-5(2-3-16-7)10-8(13)6-4-17-12-11-6/h2-4H,1H3,(H,10,13)

Composition: C (40.14%), H (2.62%), N (15.60%), O (17.82%), S (23.81%)

Molar Mass: 269.29

Atom Count: 24

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.992883445
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UHGANFPHVQEFFY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.43
Topological Polar Surface Area 81.18
Polarizability 23.24
Ring Count 2
Rotatable Bond Count 4

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 478261-72-2 $51.35-$524.40$51.35$63.37$86.31$524.40
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