6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol

C11H10O4S — CID 59853197

IUPAC6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol
SMILESCc1ccc2c(O)cc(SOOO)cc2c1
InChIInChI=1S/C11H10O4S/c1-7-2-3-10-8(4-7)5-9(6-11(10)12)16-15-14-13/h2-6,12-13H,1H3
InChIKeyNDZHZUWIDRVUON-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.28
Rot. Bonds3

About 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol

6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol (PubChem CID 59853197) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol.

Molecular Properties

Compound Name6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol
PubChem CID59853197
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol
SMILESCc1ccc2c(O)cc(SOOO)cc2c1
InChIInChI=1S/C11H10O4S/c1-7-2-3-10-8(4-7)5-9(6-11(10)12)16-15-14-13/h2-6,12-13H,1H3
InChIKeyNDZHZUWIDRVUON-UHFFFAOYSA-N
XLogP3.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Naphthol-6-sulfonic acid
CID 7117
7-Hydroxy-2-naphthalenesulfonic acid
CID 7089
1-Naphthol-3,6-disulfonic acid
CID 43853
1-Naphthalenesulfonic acid, 5-hydroxy-
CID 67025
Chromotropic acid
CID 67221
1,6-Naphthalenedisulfonic acid, 8-hydroxy-
CID 67019
1-Naphthol-8-sulfonic acid
CID 67015
2-Naphthalenesulfonic acid, 4-hydroxy-
CID 77389
2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2)
CID 88502
Disodium chromotropate dihydrate
CID 2723846
1-Naphthol, 3-methyl-
CID 26135
Sodium 4,6-dihydroxynaphthalene-2-sulphonate
CID 5001507

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol?
The IUPAC name of 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol (CID 59853197) is 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol.
What is the SMILES notation for 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol?
The canonical SMILES for 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol is Cc1ccc2c(O)cc(SOOO)cc2c1.
What is the InChIKey of 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol?
The InChIKey is NDZHZUWIDRVUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-7-2-3-10-8(4-7)5-9(6-11(10)12)16-15-14-13/h2-6,12-13H,1H3.
What are the key properties of 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol?
6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol has a molecular weight of 238.26 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(trioxidanylsulfanyl)naphthalen-1-ol is sourced from PubChem (CID 59853197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).