methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane

C27H24O3S — CID 142802622

IUPACmethylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane
SMILESC=S(=O)(c1ccc(Oc2ccc(C)cc2)cc1)c1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C27H24O3S/c1-20-4-8-22(9-5-20)29-24-12-16-26(17-13-24)31(3,28)27-18-14-25(15-19-27)30-23-10-6-21(2)7-11-23/h4-19H,3H2,1-2H3
InChIKeyXBAYSIUXFOCOGZ-UHFFFAOYSA-N
MW428.55 g/mol
LogP7.02
Rot. Bonds6

About methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane

methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane (PubChem CID 142802622) has the molecular formula C27H24O3S and a molecular weight of 428.55 g/mol. Its IUPAC name is methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Namemethylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane
PubChem CID142802622
Molecular FormulaC27H24O3S
Molecular Weight428.55 g/mol
Exact Mass428.14
IUPAC Namemethylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane
SMILESC=S(=O)(c1ccc(Oc2ccc(C)cc2)cc1)c1ccc(Oc2ccc(C)cc2)cc1
InChIInChI=1S/C27H24O3S/c1-20-4-8-22(9-5-20)29-24-12-16-26(17-13-24)31(3,28)27-18-14-25(15-19-27)30-23-10-6-21(2)7-11-23/h4-19H,3H2,1-2H3
InChIKeyXBAYSIUXFOCOGZ-UHFFFAOYSA-N
XLogP7.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.55
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-methylidene-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-oxo-λ6-sulfane
CID 144623140
4-[methylidene-(4-methylphenyl)-oxo-λ6-sulfanyl]phenol
CID 145421044
4-[4-(4-methylphenyl)sulfonylphenoxy]aniline
CID 6611791
4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenoxy]phenol
CID 90321363
4-(4-methylphenoxy)benzenesulfonohydrazide
CID 90979703
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
1-[4-[4-[carbamoyl-(4-methylphenyl)sulfonylamino]phenoxy]phenyl]-1-(4-methylphenyl)sulfonylurea
CID 19389530
[bis(4-methylphenyl)-(4-phenoxyphenyl)-λ4-sulfanyl] methanesulfonate
CID 57050758
1-[4-[4-[4-[4-[4-[4-(3,5-dimethylphenoxy)phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]-3,5-dimethylbenzene
CID 118474119

Frequently Asked Questions

What is the IUPAC name of methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane?
The IUPAC name of methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane (CID 142802622) is methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane.
What is the SMILES notation for methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane?
The canonical SMILES for methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane is C=S(=O)(c1ccc(Oc2ccc(C)cc2)cc1)c1ccc(Oc2ccc(C)cc2)cc1.
What is the InChIKey of methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane?
The InChIKey is XBAYSIUXFOCOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O3S/c1-20-4-8-22(9-5-20)29-24-12-16-26(17-13-24)31(3,28)27-18-14-25(15-19-27)30-23-10-6-21(2)7-11-23/h4-19H,3H2,1-2H3.
What are the key properties of methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane?
methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane has a molecular weight of 428.55 g/mol, XLogP of 7.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-bis[4-(4-methylphenoxy)phenyl]-oxo-λ6-sulfane is sourced from PubChem (CID 142802622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).