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methoxy({4-[(3-methoxyphenyl)sulfanyl]-3-nitrophenyl}methylidene)amine

methoxy({4-[(3-methoxyphenyl)sulfanyl]-3-nitrophenyl}methylidene)amine

CAS: 383147-51-1

Formula: C15H14N2O4S

SMILES: CON=CC1=CC(=C(SC2=CC(OC)=CC=C2)C=C1)[N+]([O-])=O

IUPAC: methoxy({4-[(3-methoxyphenyl)sulfanyl]-3-nitrophenyl}methylidene)amine

InChI: InChI=1S/C15H14N2O4S/c1-20-12-4-3-5-13(9-12)22-15-7-6-11(10-16-21-2)8-14(15)17(18)19/h3-10H,1-2H3

Composition: C (56.59%), H (4.43%), N (8.80%), O (20.10%), S (10.07%)

Molar Mass: 318.35

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 318.067428113
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey VNXSAFCTIHSBKO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 86.41
Topological Polar Surface Area 73.96
Polarizability 32.45
Ring Count 2
Rotatable Bond Count 6

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 383147-51-1 $51.35-$524.40$51.35$63.37$86.31$524.40
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