10H-phenothiazine-1-carboxylic acid

C13H9NO2S — CID 607618

IUPAC10H-phenothiazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H9NO2S/c15-13(16)8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)17-11/h1-7,14H,(H,15,16)
InChIKeyKMPDTDKCEBVAMG-UHFFFAOYSA-N
MW243.29 g/mol
LogP3.59
Rot. Bonds1

About 10H-phenothiazine-1-carboxylic acid

10H-phenothiazine-1-carboxylic acid (PubChem CID 607618) has the molecular formula C13H9NO2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 10H-phenothiazine-1-carboxylic acid.

Molecular Properties

Compound Name10H-phenothiazine-1-carboxylic acid
PubChem CID607618
Molecular FormulaC13H9NO2S
Molecular Weight243.29 g/mol
Exact Mass243.04
IUPAC Name10H-phenothiazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C13H9NO2S/c15-13(16)8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)17-11/h1-7,14H,(H,15,16)
InChIKeyKMPDTDKCEBVAMG-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenylanthranilic Acid
CID 4386
2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
CID 3507590
Anthranilic acid, N-(p-((difluoromethyl)thio)phenyl)-
CID 2060602
3-(2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamido)benzoic acid
CID 2876008
2-{[(Phenylthio)acetyl]amino}benzoic acid
CID 882553
2-[3-(Pentafluoro-lambda6-sulfanyl)anilino]benzoic acid
CID 122192740
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid
CID 68475223
Flutiazin
CID 23647
2-(2-p-Tolylsulfanyl-acetylamino)-benzoic acid
CID 816078
2-[(10H-phenothiazin-10-ylcarbonyl)amino]benzoic acid
CID 1143971
2-[4-(Pentafluoro-lambda6-sulfanyl)anilino]benzoic acid
CID 122192743
2-[[6-(2-Carboxy-4-methylsulfanyl-anilino)-6-oxo-hexanoyl]amino]-5-methylsulfanyl-benzoic acid
CID 470569

Frequently Asked Questions

What is the IUPAC name of 10H-phenothiazine-1-carboxylic acid?
The IUPAC name of 10H-phenothiazine-1-carboxylic acid (CID 607618) is 10H-phenothiazine-1-carboxylic acid.
What is the SMILES notation for 10H-phenothiazine-1-carboxylic acid?
The canonical SMILES for 10H-phenothiazine-1-carboxylic acid is O=C(O)c1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazine-1-carboxylic acid?
The InChIKey is KMPDTDKCEBVAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S/c15-13(16)8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)17-11/h1-7,14H,(H,15,16).
What are the key properties of 10H-phenothiazine-1-carboxylic acid?
10H-phenothiazine-1-carboxylic acid has a molecular weight of 243.29 g/mol, XLogP of 3.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazine-1-carboxylic acid is sourced from PubChem (CID 607618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).