10-methyl-3,7-dithiophen-2-ylphenothiazine

C21H15NS3 — CID 57407726

IUPAC10-methyl-3,7-dithiophen-2-ylphenothiazine
SMILESCN1c2ccc(-c3cccs3)cc2Sc2cc(-c3cccs3)ccc21
InChIInChI=1S/C21H15NS3/c1-22-16-8-6-14(18-4-2-10-23-18)12-20(16)25-21-13-15(7-9-17(21)22)19-5-3-11-24-19/h2-13H,1H3
InChIKeyRXAJOSKEQCUYHG-UHFFFAOYSA-N
MW377.56 g/mol
LogP7.38
Rot. Bonds2

About 10-methyl-3,7-dithiophen-2-ylphenothiazine

10-methyl-3,7-dithiophen-2-ylphenothiazine (PubChem CID 57407726) has the molecular formula C21H15NS3 and a molecular weight of 377.56 g/mol. Its IUPAC name is 10-methyl-3,7-dithiophen-2-ylphenothiazine.

Molecular Properties

Compound Name10-methyl-3,7-dithiophen-2-ylphenothiazine
PubChem CID57407726
Molecular FormulaC21H15NS3
Molecular Weight377.56 g/mol
Exact Mass377.04
IUPAC Name10-methyl-3,7-dithiophen-2-ylphenothiazine
SMILESCN1c2ccc(-c3cccs3)cc2Sc2cc(-c3cccs3)ccc21
InChIInChI=1S/C21H15NS3/c1-22-16-8-6-14(18-4-2-10-23-18)12-20(16)25-21-13-15(7-9-17(21)22)19-5-3-11-24-19/h2-13H,1H3
InChIKeyRXAJOSKEQCUYHG-UHFFFAOYSA-N
XLogP7.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.56
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3,7-dithiophen-2-ylphenothiazine?
The IUPAC name of 10-methyl-3,7-dithiophen-2-ylphenothiazine (CID 57407726) is 10-methyl-3,7-dithiophen-2-ylphenothiazine.
What is the SMILES notation for 10-methyl-3,7-dithiophen-2-ylphenothiazine?
The canonical SMILES for 10-methyl-3,7-dithiophen-2-ylphenothiazine is CN1c2ccc(-c3cccs3)cc2Sc2cc(-c3cccs3)ccc21.
What is the InChIKey of 10-methyl-3,7-dithiophen-2-ylphenothiazine?
The InChIKey is RXAJOSKEQCUYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NS3/c1-22-16-8-6-14(18-4-2-10-23-18)12-20(16)25-21-13-15(7-9-17(21)22)19-5-3-11-24-19/h2-13H,1H3.
What are the key properties of 10-methyl-3,7-dithiophen-2-ylphenothiazine?
10-methyl-3,7-dithiophen-2-ylphenothiazine has a molecular weight of 377.56 g/mol, XLogP of 7.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3,7-dithiophen-2-ylphenothiazine is sourced from PubChem (CID 57407726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).