2-thiophen-2-yl-10H-phenothiazine

C16H11NS2 — CID 54193968

IUPAC2-thiophen-2-yl-10H-phenothiazine
SMILESc1csc(-c2ccc3c(c2)Nc2ccccc2S3)c1
InChIInChI=1S/C16H11NS2/c1-2-5-15-12(4-1)17-13-10-11(7-8-16(13)19-15)14-6-3-9-18-14/h1-10,17H
InChIKeySRDVNQCMNAYYLF-UHFFFAOYSA-N
MW281.41 g/mol
LogP5.62
Rot. Bonds1

About 2-thiophen-2-yl-10H-phenothiazine

2-thiophen-2-yl-10H-phenothiazine (PubChem CID 54193968) has the molecular formula C16H11NS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-thiophen-2-yl-10H-phenothiazine.

Molecular Properties

Compound Name2-thiophen-2-yl-10H-phenothiazine
PubChem CID54193968
Molecular FormulaC16H11NS2
Molecular Weight281.41 g/mol
Exact Mass281.03
IUPAC Name2-thiophen-2-yl-10H-phenothiazine
SMILESc1csc(-c2ccc3c(c2)Nc2ccccc2S3)c1
InChIInChI=1S/C16H11NS2/c1-2-5-15-12(4-1)17-13-10-11(7-8-16(13)19-15)14-6-3-9-18-14/h1-10,17H
InChIKeySRDVNQCMNAYYLF-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.41
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-10H-phenothiazine?
The IUPAC name of 2-thiophen-2-yl-10H-phenothiazine (CID 54193968) is 2-thiophen-2-yl-10H-phenothiazine.
What is the SMILES notation for 2-thiophen-2-yl-10H-phenothiazine?
The canonical SMILES for 2-thiophen-2-yl-10H-phenothiazine is c1csc(-c2ccc3c(c2)Nc2ccccc2S3)c1.
What is the InChIKey of 2-thiophen-2-yl-10H-phenothiazine?
The InChIKey is SRDVNQCMNAYYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NS2/c1-2-5-15-12(4-1)17-13-10-11(7-8-16(13)19-15)14-6-3-9-18-14/h1-10,17H.
What are the key properties of 2-thiophen-2-yl-10H-phenothiazine?
2-thiophen-2-yl-10H-phenothiazine has a molecular weight of 281.41 g/mol, XLogP of 5.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-10H-phenothiazine is sourced from PubChem (CID 54193968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).