5-phenylthieno[3,2-e][1]benzothiol-4-ol

C16H10OS2 — CID 102205778

IUPAC5-phenylthieno[3,2-e][1]benzothiol-4-ol
SMILESOc1c(-c2ccccc2)c2sccc2c2ccsc12
InChIInChI=1S/C16H10OS2/c17-14-13(10-4-2-1-3-5-10)15-11(6-8-18-15)12-7-9-19-16(12)14/h1-9,17H
InChIKeySAHBGNRNCQWWBL-UHFFFAOYSA-N
MW282.39 g/mol
LogP5.49
Rot. Bonds1

About 5-phenylthieno[3,2-e][1]benzothiol-4-ol

5-phenylthieno[3,2-e][1]benzothiol-4-ol (PubChem CID 102205778) has the molecular formula C16H10OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-phenylthieno[3,2-e][1]benzothiol-4-ol.

Molecular Properties

Compound Name5-phenylthieno[3,2-e][1]benzothiol-4-ol
PubChem CID102205778
Molecular FormulaC16H10OS2
Molecular Weight282.39 g/mol
Exact Mass282.02
IUPAC Name5-phenylthieno[3,2-e][1]benzothiol-4-ol
SMILESOc1c(-c2ccccc2)c2sccc2c2ccsc12
InChIInChI=1S/C16H10OS2/c17-14-13(10-4-2-1-3-5-10)15-11(6-8-18-15)12-7-9-19-16(12)14/h1-9,17H
InChIKeySAHBGNRNCQWWBL-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.39
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylthieno[3,2-e][1]benzothiol-4-ol?
The IUPAC name of 5-phenylthieno[3,2-e][1]benzothiol-4-ol (CID 102205778) is 5-phenylthieno[3,2-e][1]benzothiol-4-ol.
What is the SMILES notation for 5-phenylthieno[3,2-e][1]benzothiol-4-ol?
The canonical SMILES for 5-phenylthieno[3,2-e][1]benzothiol-4-ol is Oc1c(-c2ccccc2)c2sccc2c2ccsc12.
What is the InChIKey of 5-phenylthieno[3,2-e][1]benzothiol-4-ol?
The InChIKey is SAHBGNRNCQWWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10OS2/c17-14-13(10-4-2-1-3-5-10)15-11(6-8-18-15)12-7-9-19-16(12)14/h1-9,17H.
What are the key properties of 5-phenylthieno[3,2-e][1]benzothiol-4-ol?
5-phenylthieno[3,2-e][1]benzothiol-4-ol has a molecular weight of 282.39 g/mol, XLogP of 5.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylthieno[3,2-e][1]benzothiol-4-ol is sourced from PubChem (CID 102205778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).