bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium

C32H35O8S2+ — CID 166590275

IUPACbis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium
SMILESCOc1ccc(Sc2cc(OC)c(OC)cc2[S+](c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C32H35O8S2/c1-33-23-12-9-20(15-26(23)36-4)41-31-18-29(39-7)30(40-8)19-32(31)42(21-10-13-24(34-2)27(16-21)37-5)22-11-14-25(35-3)28(17-22)38-6/h9-19H,1-8H3/q+1
InChIKeyMZBSVJJPGHHRBO-UHFFFAOYSA-N
MW611.76 g/mol
LogP7.00
Rot. Bonds13

About bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium

bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium (PubChem CID 166590275) has the molecular formula C32H35O8S2+ and a molecular weight of 611.76 g/mol. Its IUPAC name is bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium.

Molecular Properties

Compound Namebis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium
PubChem CID166590275
Molecular FormulaC32H35O8S2+
Molecular Weight611.76 g/mol
Exact Mass611.18
IUPAC Namebis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium
SMILESCOc1ccc(Sc2cc(OC)c(OC)cc2[S+](c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C32H35O8S2/c1-33-23-12-9-20(15-26(23)36-4)41-31-18-29(39-7)30(40-8)19-32(31)42(21-10-13-24(34-2)27(16-21)37-5)22-11-14-25(35-3)28(17-22)38-6/h9-19H,1-8H3/q+1
InChIKeyMZBSVJJPGHHRBO-UHFFFAOYSA-N
XLogP7.00
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.76
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfinyl-4,5-dimethoxyphenyl]sulfanium
CID 166590257
(3-methoxyphenyl)-[2-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium
CID 147710735
[3-methoxy-4-(4-phenylphenyl)sulfanylphenyl]-(2-methylphenyl)-(4-phenylphenyl)sulfanium
CID 154485672
[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methanamine;hydrochloride
CID 3080305
[4-(3,4-dimethoxyphenyl)sulfanyl-2-methoxyphenyl] acetate
CID 122520347
1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine chloride
CID 53313584
2-(3,4-dimethoxyphenyl)sulfanyl-3-methylbutan-1-amine
CID 117035475
[5-methyl-2-(4-methylphenyl)sulfanylphenyl]-bis(4-methylphenyl)sulfanium
CID 143426165
2-amino-3-(3,4-dimethoxyphenyl)sulfanylpropanoic acid
CID 117034715
2-(3,4-dimethoxyphenyl)sulfanylpropan-2-ol
CID 117034552
[2-methoxy-4-(9-oxothioxanthen-2-yl)sulfanylphenyl]-(3-methoxyphenyl)-(9-oxothioxanthen-2-yl)sulfanium
CID 163555269
2-[(E)-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]guanidine
CID 44572744

Frequently Asked Questions

What is the IUPAC name of bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium?
The IUPAC name of bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium (CID 166590275) is bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium.
What is the SMILES notation for bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium?
The canonical SMILES for bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium is COc1ccc(Sc2cc(OC)c(OC)cc2[S+](c2ccc(OC)c(OC)c2)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium?
The InChIKey is MZBSVJJPGHHRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35O8S2/c1-33-23-12-9-20(15-26(23)36-4)41-31-18-29(39-7)30(40-8)19-32(31)42(21-10-13-24(34-2)27(16-21)37-5)22-11-14-25(35-3)28(17-22)38-6/h9-19H,1-8H3/q+1.
What are the key properties of bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium?
bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium has a molecular weight of 611.76 g/mol, XLogP of 7.00, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)sulfanyl-4,5-dimethoxyphenyl]sulfanium is sourced from PubChem (CID 166590275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).