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ethyl ({5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)formate

ethyl ({5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)formate

Formula: C13H12ClN3O3S

SMILES: CCOC(=O)C(=O)NC1=NN=C(CC2=CC=C(Cl)C=C2)S1

IUPAC: ethyl ({5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)formate

InChI: InChI=1S/C13H12ClN3O3S/c1-2-20-12(19)11(18)15-13-17-16-10(21-13)7-8-3-5-9(14)6-4-8/h3-6H,2,7H2,1H3,(H,15,17,18)

Composition: C (47.93%), H (3.71%), Cl (10.88%), N (12.90%), O (14.73%), S (9.84%)

Molar Mass: 325.77

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 325.0287901
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QFMOHJFXVMEAAY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.01
Topological Polar Surface Area 81.18
Polarizability 29.97
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H12ClN3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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