2-phenothiazin-10-ylacetate

C14H10NO2S- — CID 6988018

IUPAC2-phenothiazin-10-ylacetate
SMILESO=C([O-])CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C14H11NO2S/c16-14(17)9-15-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1-8H,9H2,(H,16,17)/p-1
InChIKeyQUJVFIOYSMVYGY-UHFFFAOYSA-M
MW256.31 g/mol
LogP2.04
Rot. Bonds2

About 2-phenothiazin-10-ylacetate

2-phenothiazin-10-ylacetate (PubChem CID 6988018) has the molecular formula C14H10NO2S- and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-phenothiazin-10-ylacetate.

Molecular Properties

Compound Name2-phenothiazin-10-ylacetate
PubChem CID6988018
Molecular FormulaC14H10NO2S-
Molecular Weight256.31 g/mol
Exact Mass256.04
IUPAC Name2-phenothiazin-10-ylacetate
SMILESO=C([O-])CN1c2ccccc2Sc2ccccc21
InChIInChI=1S/C14H11NO2S/c16-14(17)9-15-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1-8H,9H2,(H,16,17)/p-1
InChIKeyQUJVFIOYSMVYGY-UHFFFAOYSA-M
XLogP2.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-phenothiazin-10-ylbutan-2-one
CID 79395572
potassium 4-hydroxy-2-[(2-phenothiazin-10-ylacetyl)amino]pentanoate
CID 167811693
2-methylidene-4-phenothiazin-10-yl-3-(phenothiazin-10-ylmethyl)butanoic acid
CID 174190428
2,2,3,3-tetrafluoro-4-oxo-4-phenothiazin-10-ylbutanoate
CID 164746772
2-[4-oxo-2-sulfanylidene-5-[3-(3-sulfonatopropyl)-1,3-benzothiazol-2-ylidene]-1,3-thiazolidin-3-yl]acetate
CID 3728066
1-[(2-phenothiazin-10-ylacetyl)amino]-1-phenylthiourea
CID 22302182
N-[(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-phenothiazin-10-ylacetamide
CID 136644588
disodium;2-[(5E)-4-oxo-2-sulfanylidene-5-[3-(3-sulfonatopropyl)-1,3-benzothiazol-2-ylidene]-1,3-thiazolidin-3-yl]acetate
CID 155970345
10-(4-bromobutyl)phenothiazine
CID 14549797
sodium 6-phenothiazin-10-ylhexane-1-sulfonate
CID 57336662
ethyl 3-phenothiazin-10-ylpropanoate
CID 20768351
hydrazinyl 3-phenothiazin-10-ylpropanoate
CID 66337325

Frequently Asked Questions

What is the IUPAC name of 2-phenothiazin-10-ylacetate?
The IUPAC name of 2-phenothiazin-10-ylacetate (CID 6988018) is 2-phenothiazin-10-ylacetate.
What is the SMILES notation for 2-phenothiazin-10-ylacetate?
The canonical SMILES for 2-phenothiazin-10-ylacetate is O=C([O-])CN1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-phenothiazin-10-ylacetate?
The InChIKey is QUJVFIOYSMVYGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11NO2S/c16-14(17)9-15-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1-8H,9H2,(H,16,17)/p-1.
What are the key properties of 2-phenothiazin-10-ylacetate?
2-phenothiazin-10-ylacetate has a molecular weight of 256.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenothiazin-10-ylacetate is sourced from PubChem (CID 6988018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).