7-sulfanylphenazine-2,3-diol

C12H8N2O2S — CID 163978493

IUPAC7-sulfanylphenazine-2,3-diol
SMILESOc1cc2nc3ccc(S)cc3nc2cc1O
InChIInChI=1S/C12H8N2O2S/c15-11-4-9-10(5-12(11)16)14-8-3-6(17)1-2-7(8)13-9/h1-5,15-17H
InChIKeySWGXUSLKMPUUCU-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.48
Rot. Bonds

About 7-sulfanylphenazine-2,3-diol

7-sulfanylphenazine-2,3-diol (PubChem CID 163978493) has the molecular formula C12H8N2O2S and a molecular weight of 244.28 g/mol. Its IUPAC name is 7-sulfanylphenazine-2,3-diol.

Molecular Properties

Compound Name7-sulfanylphenazine-2,3-diol
PubChem CID163978493
Molecular FormulaC12H8N2O2S
Molecular Weight244.28 g/mol
Exact Mass244.03
IUPAC Name7-sulfanylphenazine-2,3-diol
SMILESOc1cc2nc3ccc(S)cc3nc2cc1O
InChIInChI=1S/C12H8N2O2S/c15-11-4-9-10(5-12(11)16)14-8-3-6(17)1-2-7(8)13-9/h1-5,15-17H
InChIKeySWGXUSLKMPUUCU-UHFFFAOYSA-N
XLogP2.48
TPSA66.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-sulfanylbenzene-1,2-diol
CID 14925260
2-prop-1-en-2-ylbenzotriazole-5-thiol
CID 142964275
3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol
CID 150882613
2-methyl-1,3-benzoxazole-5-thiol
CID 83529189
2-hydroxy-5-sulfanylbenzaldehyde
CID 90836240
5-methoxycyclobuta[b]quinoxaline-1,2-diol
CID 146025256
5-fluorocyclobuta[b]quinoxaline-1,2-diol
CID 135502848
7-fluorophenazin-2-ol
CID 154115313
7-methylphenazin-2-ol
CID 135430298
8-methoxyphenazin-1-ol
CID 138967481
phenazine-1,2,3-triol
CID 163378643
2-(benzotriazol-2-yl)-5-sulfanylphenol
CID 23459194

Frequently Asked Questions

What is the IUPAC name of 7-sulfanylphenazine-2,3-diol?
The IUPAC name of 7-sulfanylphenazine-2,3-diol (CID 163978493) is 7-sulfanylphenazine-2,3-diol.
What is the SMILES notation for 7-sulfanylphenazine-2,3-diol?
The canonical SMILES for 7-sulfanylphenazine-2,3-diol is Oc1cc2nc3ccc(S)cc3nc2cc1O.
What is the InChIKey of 7-sulfanylphenazine-2,3-diol?
The InChIKey is SWGXUSLKMPUUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S/c15-11-4-9-10(5-12(11)16)14-8-3-6(17)1-2-7(8)13-9/h1-5,15-17H.
What are the key properties of 7-sulfanylphenazine-2,3-diol?
7-sulfanylphenazine-2,3-diol has a molecular weight of 244.28 g/mol, XLogP of 2.48, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-sulfanylphenazine-2,3-diol is sourced from PubChem (CID 163978493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).