Triphenyl Compound A

CAT: 0024-sc-364144ASize: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-364144ASize:5 mg

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CAS Number

21306-65-0

Chemical Information

4-methyl-N-[methyl-(4-phenylmethoxyphenyl)-lambda4-sulfanylidene]benzenesulfonamide

CAS Number	21306-65-0
PubChem CID	2802868
IUPAC Name	4-methyl-N-[methyl-(4-phenylmethoxyphenyl)-lambda4-sulfanylidene]benzenesulfonamide
Molecular Formula	C21H21NO3S2
Molecular Weight	399.5
XLogP	5.9
Topological Polar Surface Area	83.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	577

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=S(C)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3

InChIKey

IMUPOWQOXOCVBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21306-65-0

CID: 2802868

Formula: C21H21NO3S2

MW: 399.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	399.5
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	399.09628588
Monoisotopic Mass	399.09628588
Topological Polar Surface Area	83.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	577
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
468262-01	Triphenyl Compound A
MBS6118470-01	TPh A (Triphenyl Compound A, 4-Methyl-N-(methyl(4-(phenylmethoxy) phenyl)-lambda4-sulfanylidene-benzene-sulfonamide, S-S-methyl-N-(p-tolylsulfonyl)-sulfilimine)
045344-01	TPh A (Triphenyl Compound A, 4-Methyl-N- (methyl (4- (phenylmethoxy) phenyl) -lambda4-sulfanylidene-benzene-sulfonamide, S-S-methyl-N- (p-tolylsulfonyl) -sulfilimine)
FT146827-01	Triphenyl phosphorothioate
T203211-01	Triphenyl phosphate
468265-01	Triphenyl Phosphite
MBS6093300-01	Triphenyl Borate
GTR19216670-01	Triphenyl bismuth
abx184795-01	Triphenyl methanol
A34730-01	Antimony triphenyl