10H-phenothiazin-1-ol

C12H9NOS — CID 608056

IUPAC10H-phenothiazin-1-ol
SMILESOc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H9NOS/c14-9-5-3-7-11-12(9)13-8-4-1-2-6-10(8)15-11/h1-7,13-14H
InChIKeyDKYSJQNSWGHPKO-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.60
Rot. Bonds

About 10H-phenothiazin-1-ol

10H-phenothiazin-1-ol (PubChem CID 608056) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 10H-phenothiazin-1-ol.

Molecular Properties

Compound Name10H-phenothiazin-1-ol
PubChem CID608056
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name10H-phenothiazin-1-ol
SMILESOc1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C12H9NOS/c14-9-5-3-7-11-12(9)13-8-4-1-2-6-10(8)15-11/h1-7,13-14H
InChIKeyDKYSJQNSWGHPKO-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10H-phenothiazin-1-ol?
The IUPAC name of 10H-phenothiazin-1-ol (CID 608056) is 10H-phenothiazin-1-ol.
What is the SMILES notation for 10H-phenothiazin-1-ol?
The canonical SMILES for 10H-phenothiazin-1-ol is Oc1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazin-1-ol?
The InChIKey is DKYSJQNSWGHPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-9-5-3-7-11-12(9)13-8-4-1-2-6-10(8)15-11/h1-7,13-14H.
What are the key properties of 10H-phenothiazin-1-ol?
10H-phenothiazin-1-ol has a molecular weight of 215.28 g/mol, XLogP of 3.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazin-1-ol is sourced from PubChem (CID 608056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).