ethyl phenothiazine-10-carboxylate

C15H13NO2S — CID 744392

IUPACethyl phenothiazine-10-carboxylate
SMILESCCOC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-2-18-15(17)16-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3
InChIKeyYEKBBCHBTPXNKK-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.45
Rot. Bonds1

About ethyl phenothiazine-10-carboxylate

ethyl phenothiazine-10-carboxylate (PubChem CID 744392) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl phenothiazine-10-carboxylate.

Molecular Properties

Compound Nameethyl phenothiazine-10-carboxylate
PubChem CID744392
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Nameethyl phenothiazine-10-carboxylate
SMILESCCOC(=O)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C15H13NO2S/c1-2-18-15(17)16-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3
InChIKeyYEKBBCHBTPXNKK-UHFFFAOYSA-N
XLogP4.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10H-Phenothiazine-10-propanoic acid
CID 352307
Ethyl N-(10H-phenothiazin-2-yl)carbamate
CID 652628
10-Acetylphenothiazine
CID 74200
10-Methylphenothiazine
CID 71015
Dimethoxanate
CID 10610
Dimethoxanate Hydrochloride
CID 10609
10-(Chloroacetyl)-10H-phenothiazine
CID 69920
N,N-dimethyl-10H-phenothiazine-10-carboxamide
CID 2301676
1-(10H-phenothiazin-10-yl)propan-2-ol
CID 377558
N-Ethylphenothiazine
CID 219178
tert-butyl 10H-phenothiazine-10-carboxylate
CID 44568319
Cyclopropyl-phenothiazin-10-yl-methanone
CID 774523

Frequently Asked Questions

What is the IUPAC name of ethyl phenothiazine-10-carboxylate?
The IUPAC name of ethyl phenothiazine-10-carboxylate (CID 744392) is ethyl phenothiazine-10-carboxylate.
What is the SMILES notation for ethyl phenothiazine-10-carboxylate?
The canonical SMILES for ethyl phenothiazine-10-carboxylate is CCOC(=O)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of ethyl phenothiazine-10-carboxylate?
The InChIKey is YEKBBCHBTPXNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-18-15(17)16-11-7-3-5-9-13(11)19-14-10-6-4-8-12(14)16/h3-10H,2H2,1H3.
What are the key properties of ethyl phenothiazine-10-carboxylate?
ethyl phenothiazine-10-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl phenothiazine-10-carboxylate is sourced from PubChem (CID 744392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).