7-aminothieno[3,2-e][1]benzothiol-2-ol

C10H7NOS2 — CID 69035510

IUPAC7-aminothieno[3,2-e][1]benzothiol-2-ol
SMILESNc1cc2c(ccc3sc(O)cc32)s1
InChIInChI=1S/C10H7NOS2/c11-9-3-5-6-4-10(12)14-8(6)2-1-7(5)13-9/h1-4,12H,11H2
InChIKeyJXNCFLCDKWMAPH-UHFFFAOYSA-N
MW221.31 g/mol
LogP3.40
Rot. Bonds

About 7-aminothieno[3,2-e][1]benzothiol-2-ol

7-aminothieno[3,2-e][1]benzothiol-2-ol (PubChem CID 69035510) has the molecular formula C10H7NOS2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 7-aminothieno[3,2-e][1]benzothiol-2-ol.

Molecular Properties

Compound Name7-aminothieno[3,2-e][1]benzothiol-2-ol
PubChem CID69035510
Molecular FormulaC10H7NOS2
Molecular Weight221.31 g/mol
Exact Mass221.00
IUPAC Name7-aminothieno[3,2-e][1]benzothiol-2-ol
SMILESNc1cc2c(ccc3sc(O)cc32)s1
InChIInChI=1S/C10H7NOS2/c11-9-3-5-6-4-10(12)14-8(6)2-1-7(5)13-9/h1-4,12H,11H2
InChIKeyJXNCFLCDKWMAPH-UHFFFAOYSA-N
XLogP3.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-aminothieno[3,2-e][1]benzothiol-2-ol?
The IUPAC name of 7-aminothieno[3,2-e][1]benzothiol-2-ol (CID 69035510) is 7-aminothieno[3,2-e][1]benzothiol-2-ol.
What is the SMILES notation for 7-aminothieno[3,2-e][1]benzothiol-2-ol?
The canonical SMILES for 7-aminothieno[3,2-e][1]benzothiol-2-ol is Nc1cc2c(ccc3sc(O)cc32)s1.
What is the InChIKey of 7-aminothieno[3,2-e][1]benzothiol-2-ol?
The InChIKey is JXNCFLCDKWMAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS2/c11-9-3-5-6-4-10(12)14-8(6)2-1-7(5)13-9/h1-4,12H,11H2.
What are the key properties of 7-aminothieno[3,2-e][1]benzothiol-2-ol?
7-aminothieno[3,2-e][1]benzothiol-2-ol has a molecular weight of 221.31 g/mol, XLogP of 3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminothieno[3,2-e][1]benzothiol-2-ol is sourced from PubChem (CID 69035510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).