acetic acid;1-methylsulfanylphenazine

C15H14N2O2S — CID 175441164

IUPACacetic acid;1-methylsulfanylphenazine
SMILESCC(=O)O.CSc1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H10N2S.C2H4O2/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11;1-2(3)4/h2-8H,1H3;1H3,(H,3,4)
InChIKeyCVPONRUANYUGJE-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.60
Rot. Bonds1

About acetic acid;1-methylsulfanylphenazine

acetic acid;1-methylsulfanylphenazine (PubChem CID 175441164) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is acetic acid;1-methylsulfanylphenazine.

Molecular Properties

Compound Nameacetic acid;1-methylsulfanylphenazine
PubChem CID175441164
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Nameacetic acid;1-methylsulfanylphenazine
SMILESCC(=O)O.CSc1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H10N2S.C2H4O2/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11;1-2(3)4/h2-8H,1H3;1H3,(H,3,4)
InChIKeyCVPONRUANYUGJE-UHFFFAOYSA-N
XLogP3.60
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;1-methoxyphenazine
CID 174937212
8-methylsulfanylquinoline-3-carboxylic acid
CID 126609848
1-(4-hydroxyphenazin-1-yl)ethanone
CID 167616739
phenazine-1-carbonyl chloride
CID 71668468
phenazine-1-carboxamide
CID 141278918
N-methylphenazine-1-carboxamide
CID 4257706
2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 79217954
phenazin-1-ylmethanediol
CID 130468741
3-phenazin-1-ylprop-2-ynoic acid
CID 97034335
4-methylsulfanylquinoline-2-carboxylic acid
CID 63377616
4-methylsulfanylphenanthridine
CID 56651512
sodium;hydride;phenazine-1-sulfonic acid
CID 174984753

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-methylsulfanylphenazine?
The IUPAC name of acetic acid;1-methylsulfanylphenazine (CID 175441164) is acetic acid;1-methylsulfanylphenazine.
What is the SMILES notation for acetic acid;1-methylsulfanylphenazine?
The canonical SMILES for acetic acid;1-methylsulfanylphenazine is CC(=O)O.CSc1cccc2nc3ccccc3nc12.
What is the InChIKey of acetic acid;1-methylsulfanylphenazine?
The InChIKey is CVPONRUANYUGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S.C2H4O2/c1-16-12-8-4-7-11-13(12)15-10-6-3-2-5-9(10)14-11;1-2(3)4/h2-8H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-methylsulfanylphenazine?
acetic acid;1-methylsulfanylphenazine has a molecular weight of 286.36 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-methylsulfanylphenazine is sourced from PubChem (CID 175441164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).