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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Related Compounds

N,N-dimethyl-4-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]aniline
CID 12965114
N,N-diphenyl-4-(5-thiophen-2-ylthiophen-2-yl)aniline
CID 68210165
10-methyl-9-thiophen-2-yl-9H-acridine
CID 137645190
4-(Thiophen-2-yl)-N,N-bis(4-(thiophen-2-yl)phenyl)aniline
CID 15315428
3,10-dimethyl-10H-phenothiazine
CID 638530
2-thiophen-2-yl-10H-phenothiazine
CID 54193968
10-Methyl-3-phenylphenothiazine
CID 85814742
3,7-Dioctyl-10-(2-propen-1-yl)-10H-phenothiazine
CID 44152301
10-Hexyl-3-[5-(10-hexylphenothiazin-3-yl)thiophen-2-yl]phenothiazine
CID 85814743
10H-Phenothiazine, 3,7,10-trimethyl-
CID 10944582
10-Ethyl-3,7-dimethyl-10H-phenothiazine
CID 58800458
3-Methyl-10-phenylphenothiazine
CID 59428685

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).