5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine

C19H19NO4S2 — CID 143768925

IUPAC5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine
SMILES[H]/N=c1\ssc(-c2ccc(OC)cc2)c1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H19NO4S2/c1-21-13-7-5-11(6-8-13)18-16(19(20)26-25-18)12-9-14(22-2)17(24-4)15(10-12)23-3/h5-10,20H,1-4H3/b20-19-
InChIKeyYKSDIJJQVWGZSX-VXPUYCOJSA-N
MW389.50 g/mol
LogP4.66
Rot. Bonds6

About 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine

5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine (PubChem CID 143768925) has the molecular formula C19H19NO4S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine
PubChem CID143768925
Molecular FormulaC19H19NO4S2
Molecular Weight389.50 g/mol
Exact Mass389.08
IUPAC Name5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine
SMILES[H]/N=c1\ssc(-c2ccc(OC)cc2)c1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H19NO4S2/c1-21-13-7-5-11(6-8-13)18-16(19(20)26-25-18)12-9-14(22-2)17(24-4)15(10-12)23-3/h5-10,20H,1-4H3/b20-19-
InChIKeyYKSDIJJQVWGZSX-VXPUYCOJSA-N
XLogP4.66
TPSA60.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine?
The IUPAC name of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine (CID 143768925) is 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine is [H]/N=c1\ssc(-c2ccc(OC)cc2)c1-c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine?
The InChIKey is YKSDIJJQVWGZSX-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H19NO4S2/c1-21-13-7-5-11(6-8-13)18-16(19(20)26-25-18)12-9-14(22-2)17(24-4)15(10-12)23-3/h5-10,20H,1-4H3/b20-19-.
What are the key properties of 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine?
5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine has a molecular weight of 389.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)dithiol-3-imine is sourced from PubChem (CID 143768925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).