Text Search
Structure Search

[(2,4-dichlorophenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

[(2,4-dichlorophenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

CAS: 952727-77-4

Formula: C15H12Cl2NO2S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)C([N+]#C)C1=C(Cl)C=C(Cl)C=C1

IUPAC: [(2,4-dichlorophenyl)(4-methylbenzenesulfonyl)methyl](methylidyne)azanium

InChI: InChI=1/C15H12Cl2NO2S/c1-10-3-6-12(7-4-10)21(19,20)15(18-2)13-8-5-11(16)9-14(13)17/h2-9,15H,1H3/q+1

Composition: C (52.80%), H (3.54%), Cl (20.78%), N (4.10%), O (9.38%), S (9.40%)

Molar Mass: 341.23

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 339.9960316
Formal Charge 1
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GYOLMVMHHWKGQQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.65
Topological Polar Surface Area 38.5
Polarizability 33.57
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 952727-77-4 $183.33-$688.91$183.33$688.91
Request Quote