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N-(2,4-dimethoxyphenyl)morpholine-4-carbothioamide

N-(2,4-dimethoxyphenyl)morpholine-4-carbothioamide

Formula: C13H18N2O3S

SMILES: COC1=CC=C(NC(=S)N2CCOCC2)C(OC)=C1

IUPAC: N-(2,4-dimethoxyphenyl)morpholine-4-carbothioamide

InChI: InChI=1S/C13H18N2O3S/c1-16-10-3-4-11(12(9-10)17-2)14-13(19)15-5-7-18-8-6-15/h3-4,9H,5-8H2,1-2H3,(H,14,19)

Composition: C (55.30%), H (6.43%), N (9.92%), O (17.00%), S (11.35%)

Molar Mass: 282.36

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 282.103813622
Formal Charge 0
FSP3 0.46
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey WGCBJMMGDXVFAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.38
Topological Polar Surface Area 42.96
Polarizability 30.24
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H18N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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