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[(3,4-dimethoxyphenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

[(3,4-dimethoxyphenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

CAS: 71146-67-3

Formula: C17H18NO4S

SMILES: COC1=C(OC)C=C(C=C1)C([N+]#C)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: [(3,4-dimethoxyphenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

InChI: InChI=1/C17H18NO4S/c1-12-5-8-14(9-6-12)23(19,20)17(18-2)13-7-10-15(21-3)16(11-13)22-4/h2,5-11,17H,1,3-4H3/q+1

Composition: C (61.43%), H (5.46%), N (4.21%), O (19.25%), S (9.65%)

Molar Mass: 332.39

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 332.095105658
Formal Charge 1
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey OBMVVNULILGEED-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.97
Topological Polar Surface Area 56.96
Polarizability 34.84
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 71146-67-3 $136.08-$510.30$136.08$510.30
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