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ethyl 5-[(4-bromophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate

ethyl 5-[(4-bromophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate

CAS: 866143-00-2

Formula: C11H9BrN2O2S2

SMILES: CCOC(=O)C1=C(SC2=CC=C(Br)C=C2)SN=N1

IUPAC: ethyl 5-[(4-bromophenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylate

InChI: InChI=1S/C11H9BrN2O2S2/c1-2-16-10(15)9-11(18-14-13-9)17-8-5-3-7(12)4-6-8/h3-6H,2H2,1H3

Composition: C (38.27%), H (2.63%), Br (23.15%), N (8.11%), O (9.27%), S (18.57%)

Molar Mass: 345.23

Atom Count: 27

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 343.928883
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XTELJOFBFDMBKG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.22
Topological Polar Surface Area 52.08
Polarizability 29.15
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 866143-00-2 $51.35-$86.31$51.35$63.37$86.31
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