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Triphenyl Compound A

CAT: 0572-TRC-T889218-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T889218-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21306-65-0
Hazard Statement
No Data Available
Smiles
Cc1ccc(cc1)S(=O)(=O)\N=S(/C)\c2ccc(OCc3ccccc3)cc2
Molecular Formula
C21 H21 N O3 S2
Molecular Weight
399.526
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
Additionnal Information
IUPAC name: (NE)-4-methyl-N-[methyl-(4-phenylmethoxyphenyl)-λ4-sulfanylidene]benzenesulfonamide
Shipping Conditions
Room Temperature

Chemical Information

4-methyl-N-[methyl-(4-phenylmethoxyphenyl)-lambda4-sulfanylidene]benzenesulfonamide
CAS Number21306-65-0
PubChem CID2802868
IUPAC Name4-methyl-N-[methyl-(4-phenylmethoxyphenyl)-lambda4-sulfanylidene]benzenesulfonamide
Molecular FormulaC21H21NO3S2
Molecular Weight399.5
XLogP5.9
Topological Polar Surface Area83.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity577
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
2D structure of 4-methyl-N-[methyl-(4-phenylmethoxyphenyl)-lambda4-sulfanylidene]benzenesulfonamide
CAS: 21306-65-0
CID: 2802868
Formula: C21H21NO3S2
MW: 399.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.5
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass399.09628588
Monoisotopic Mass399.09628588
Topological Polar Surface Area83.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity577
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-364144Triphenyl Compound A
MBS6118470-01TPh A (Triphenyl Compound A, 4-Methyl-N-(methyl(4-(phenylmethoxy) phenyl)-lambda4-sulfanylidene-benzene-sulfonamide, S-S-methyl-N-(p-tolylsulfonyl)-sulfilimine)
045344-01TPh A (Triphenyl Compound A, 4-Methyl-N- (methyl (4- (phenylmethoxy) phenyl) -lambda4-sulfanylidene-benzene-sulfonamide, S-S-methyl-N- (p-tolylsulfonyl) -sulfilimine)
MBS3615833-01Triphenyl bismuth
abx184795-01Triphenyl methanol
sc-224323Triphenyl borate
AR-T01531-01Triphenyl phosphite
FT146827-01Triphenyl phosphorothioate
T203211-01Triphenyl phosphate
sc-495711Triphenyl irbesartan

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