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2-[5-(2-methoxy-5-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]phenol

2-[5-(2-methoxy-5-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]phenol

Formula: C15H13N3O4S

SMILES: COC1=CC=C(C=C1C1NN=C(S1)C1=CC=CC=C1O)[N+]([O-])=O

IUPAC: 2-[5-(2-methoxy-5-nitrophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]phenol

InChI: InChI=1/C15H13N3O4S/c1-22-13-7-6-9(18(20)21)8-11(13)15-17-16-14(23-15)10-4-2-3-5-12(10)19/h2-8,15,17,19H,1H3

Composition: C (54.37%), H (3.95%), N (12.68%), O (19.31%), S (9.68%)

Molar Mass: 331.35

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 331.062677085
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey WYXCCDJTQMMJFW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.63
Topological Polar Surface Area 96.99
Polarizability 33.12
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H13N3O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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