(10-ethylphenothiazin-3-yl) formate

C15H13NO2S — CID 174918286

IUPAC(10-ethylphenothiazin-3-yl) formate
SMILESCCN1c2ccccc2Sc2cc(OC=O)ccc21
InChIInChI=1S/C15H13NO2S/c1-2-16-12-5-3-4-6-14(12)19-15-9-11(18-10-17)7-8-13(15)16/h3-10H,2H2,1H3
InChIKeyUAWNYGSGGDXOHW-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.84
Rot. Bonds3

About (10-ethylphenothiazin-3-yl) formate

(10-ethylphenothiazin-3-yl) formate (PubChem CID 174918286) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is (10-ethylphenothiazin-3-yl) formate.

Molecular Properties

Compound Name(10-ethylphenothiazin-3-yl) formate
PubChem CID174918286
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name(10-ethylphenothiazin-3-yl) formate
SMILESCCN1c2ccccc2Sc2cc(OC=O)ccc21
InChIInChI=1S/C15H13NO2S/c1-2-16-12-5-3-4-6-14(12)19-15-9-11(18-10-17)7-8-13(15)16/h3-10H,2H2,1H3
InChIKeyUAWNYGSGGDXOHW-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-3-ethyl-2-ethylidene-6-methoxy-1,3-benzothiazole
CID 59989538
4-(3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbut-2-enal
CID 793059
2-cyano-3-(10-ethylphenothiazin-3-yl)prop-2-enamide
CID 157467296
3-methoxy-10-methylphenothiazine
CID 18761115
2,5-bis[2-(10-ethylphenothiazin-3-yl)ethenyl]benzene-1,4-dicarbonitrile
CID 69121329
(10-ethylphenothiazin-3-yl)methyl-triphenylphosphanium bromide
CID 127262669
4-chloro-11-ethyl-2H-pyrano[2,3-b]phenothiazine
CID 175814201
3-ethyl-2-[(1-methyl-2,6-diphenylpyridin-1-ium-4-yl)methylidene]-1,3-benzothiazole
CID 75984175
1-(7-acetyl-10-ethylphenothiazin-3-yl)ethanone
CID 86059612
5-ethyl-6-methylidenebenzo[b][1,4]benzothiazepine
CID 145060015
10-ethylphenothiazine-2-carbothioamide
CID 174550563
bis((Z)-but-2-enedioic acid);3-butoxy-10-[4-(4-methylpiperazin-1-yl)butyl]phenothiazine
CID 25111329

Frequently Asked Questions

What is the IUPAC name of (10-ethylphenothiazin-3-yl) formate?
The IUPAC name of (10-ethylphenothiazin-3-yl) formate (CID 174918286) is (10-ethylphenothiazin-3-yl) formate.
What is the SMILES notation for (10-ethylphenothiazin-3-yl) formate?
The canonical SMILES for (10-ethylphenothiazin-3-yl) formate is CCN1c2ccccc2Sc2cc(OC=O)ccc21.
What is the InChIKey of (10-ethylphenothiazin-3-yl) formate?
The InChIKey is UAWNYGSGGDXOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-16-12-5-3-4-6-14(12)19-15-9-11(18-10-17)7-8-13(15)16/h3-10H,2H2,1H3.
What are the key properties of (10-ethylphenothiazin-3-yl) formate?
(10-ethylphenothiazin-3-yl) formate has a molecular weight of 271.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-ethylphenothiazin-3-yl) formate is sourced from PubChem (CID 174918286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).