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[2-methyl-1-(4-methylbenzenesulfonyl)propyl](methylidyne)azanium

[2-methyl-1-(4-methylbenzenesulfonyl)propyl](methylidyne)azanium

CAS: 58379-84-3

Formula: C12H16NO2S

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

IUPAC: [2-methyl-1-(4-methylbenzenesulfonyl)propyl](methylidyne)azanium

InChI: InChI=1/C12H16NO2S/c1-9(2)12(13-4)16(14,15)11-7-5-10(3)6-8-11/h4-9,12H,1-3H3/q+1

Composition: C (60.48%), H (6.77%), N (5.88%), O (13.43%), S (13.45%)

Molar Mass: 238.32

Atom Count: 32

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 238.089626353
Formal Charge 1
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey KUWNYVMDSMAJKP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.23
Topological Polar Surface Area 38.5
Polarizability 25.73
Ring Count 1
Rotatable Bond Count 3

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