2-methoxy-6-oxidoperoxysulfanylnaphthalene

C11H9O4S- — CID 22082268

IUPAC2-methoxy-6-oxidoperoxysulfanylnaphthalene
SMILESCOc1ccc2cc(SOO[O-])ccc2c1
InChIInChI=1S/C11H10O4S/c1-13-10-4-2-9-7-11(16-15-14-12)5-3-8(9)6-10/h2-7,12H,1H3/p-1
InChIKeyZNADOHAKKANMMV-UHFFFAOYSA-M
MW237.26 g/mol
LogP2.08
Rot. Bonds4

About 2-methoxy-6-oxidoperoxysulfanylnaphthalene

2-methoxy-6-oxidoperoxysulfanylnaphthalene (PubChem CID 22082268) has the molecular formula C11H9O4S- and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methoxy-6-oxidoperoxysulfanylnaphthalene.

Molecular Properties

Compound Name2-methoxy-6-oxidoperoxysulfanylnaphthalene
PubChem CID22082268
Molecular FormulaC11H9O4S-
Molecular Weight237.26 g/mol
Exact Mass237.02
IUPAC Name2-methoxy-6-oxidoperoxysulfanylnaphthalene
SMILESCOc1ccc2cc(SOO[O-])ccc2c1
InChIInChI=1S/C11H10O4S/c1-13-10-4-2-9-7-11(16-15-14-12)5-3-8(9)6-10/h2-7,12H,1H3/p-1
InChIKeyZNADOHAKKANMMV-UHFFFAOYSA-M
XLogP2.08
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
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

4-methoxybenzenediazonium;1-methyl-4-oxidoperoxysulfanylbenzene
CID 91358781
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
sodium 6-methoxynaphthalen-2-olate
CID 25112534
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-methoxy-6-[(2-methylpropan-2-yl)oxy]naphthalene
CID 155296690
7,17-dimethoxy-12-thiapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 135231094
2-hydroperoxy-7-methoxynaphthalene
CID 142950271
5-methoxy-2H-isoindole
CID 122462019
1,3-dimethoxy-5-(4-methoxyphenyl)sulfanylbenzene
CID 176734451
sodium 5-oxidoperoxysulfanyl-2H-benzotriazole
CID 23543020
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
CID 177430776
CID 177430776

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-oxidoperoxysulfanylnaphthalene?
The IUPAC name of 2-methoxy-6-oxidoperoxysulfanylnaphthalene (CID 22082268) is 2-methoxy-6-oxidoperoxysulfanylnaphthalene.
What is the SMILES notation for 2-methoxy-6-oxidoperoxysulfanylnaphthalene?
The canonical SMILES for 2-methoxy-6-oxidoperoxysulfanylnaphthalene is COc1ccc2cc(SOO[O-])ccc2c1.
What is the InChIKey of 2-methoxy-6-oxidoperoxysulfanylnaphthalene?
The InChIKey is ZNADOHAKKANMMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10O4S/c1-13-10-4-2-9-7-11(16-15-14-12)5-3-8(9)6-10/h2-7,12H,1H3/p-1.
What are the key properties of 2-methoxy-6-oxidoperoxysulfanylnaphthalene?
2-methoxy-6-oxidoperoxysulfanylnaphthalene has a molecular weight of 237.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-oxidoperoxysulfanylnaphthalene is sourced from PubChem (CID 22082268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).