10-butylphenothiazin-2-ol

C16H17NOS — CID 67359147

IUPAC10-butylphenothiazin-2-ol
SMILESCCCCN1c2ccccc2Sc2ccc(O)cc21
InChIInChI=1S/C16H17NOS/c1-2-3-10-17-13-6-4-5-7-15(13)19-16-9-8-12(18)11-14(16)17/h4-9,11,18H,2-3,10H2,1H3
InChIKeyFBGBWBSRGYNNCC-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.80
Rot. Bonds3

About 10-butylphenothiazin-2-ol

10-butylphenothiazin-2-ol (PubChem CID 67359147) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 10-butylphenothiazin-2-ol.

Molecular Properties

Compound Name10-butylphenothiazin-2-ol
PubChem CID67359147
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name10-butylphenothiazin-2-ol
SMILESCCCCN1c2ccccc2Sc2ccc(O)cc21
InChIInChI=1S/C16H17NOS/c1-2-3-10-17-13-6-4-5-7-15(13)19-16-9-8-12(18)11-14(16)17/h4-9,11,18H,2-3,10H2,1H3
InChIKeyFBGBWBSRGYNNCC-UHFFFAOYSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-butylphenothiazin-2-ol?
The IUPAC name of 10-butylphenothiazin-2-ol (CID 67359147) is 10-butylphenothiazin-2-ol.
What is the SMILES notation for 10-butylphenothiazin-2-ol?
The canonical SMILES for 10-butylphenothiazin-2-ol is CCCCN1c2ccccc2Sc2ccc(O)cc21.
What is the InChIKey of 10-butylphenothiazin-2-ol?
The InChIKey is FBGBWBSRGYNNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-3-10-17-13-6-4-5-7-15(13)19-16-9-8-12(18)11-14(16)17/h4-9,11,18H,2-3,10H2,1H3.
What are the key properties of 10-butylphenothiazin-2-ol?
10-butylphenothiazin-2-ol has a molecular weight of 271.38 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butylphenothiazin-2-ol is sourced from PubChem (CID 67359147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).