(2-methylnaphthalen-1-yl) sulfite

C11H9O3S- — CID 57254590

IUPAC(2-methylnaphthalen-1-yl) sulfite
SMILESCc1ccc2ccccc2c1OS(=O)[O-]
InChIInChI=1S/C11H10O3S/c1-8-6-7-9-4-2-3-5-10(9)11(8)14-15(12)13/h2-7H,1H3,(H,12,13)/p-1
InChIKeyFWGUWXZGQCQXHI-UHFFFAOYSA-M
MW221.26 g/mol
LogP2.32
Rot. Bonds2

About (2-methylnaphthalen-1-yl) sulfite

(2-methylnaphthalen-1-yl) sulfite (PubChem CID 57254590) has the molecular formula C11H9O3S- and a molecular weight of 221.26 g/mol. Its IUPAC name is (2-methylnaphthalen-1-yl) sulfite.

Molecular Properties

Compound Name(2-methylnaphthalen-1-yl) sulfite
PubChem CID57254590
Molecular FormulaC11H9O3S-
Molecular Weight221.26 g/mol
Exact Mass221.03
IUPAC Name(2-methylnaphthalen-1-yl) sulfite
SMILESCc1ccc2ccccc2c1OS(=O)[O-]
InChIInChI=1S/C11H10O3S/c1-8-6-7-9-4-2-3-5-10(9)11(8)14-15(12)13/h2-7H,1H3,(H,12,13)/p-1
InChIKeyFWGUWXZGQCQXHI-UHFFFAOYSA-M
XLogP2.32
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-ethenylnaphthalen-1-yl) sulfite
CID 57249256
magnesium;hydride;naphthalen-1-yl sulfite
CID 174653300
1-methyl-4-(4-methylnaphthalen-1-yl)sulfinylnaphthalene
CID 4267790
2-methyl-1-[2-(2-methylnaphthalen-1-yl)ethynyl]naphthalene
CID 15355669
2-methyl-1-propan-2-ylsulfinylnaphthalene
CID 15653775
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
naphthalen-2-yl sulfite;nickel
CID 175470148
1,2-dimethylnaphthalene;ethane
CID 90922397
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
phenanthrene-1-sulfinate
CID 57162445
(2-hydroxynaphthalen-1-yl) hydrogen sulfite
CID 57100995

Frequently Asked Questions

What is the IUPAC name of (2-methylnaphthalen-1-yl) sulfite?
The IUPAC name of (2-methylnaphthalen-1-yl) sulfite (CID 57254590) is (2-methylnaphthalen-1-yl) sulfite.
What is the SMILES notation for (2-methylnaphthalen-1-yl) sulfite?
The canonical SMILES for (2-methylnaphthalen-1-yl) sulfite is Cc1ccc2ccccc2c1OS(=O)[O-].
What is the InChIKey of (2-methylnaphthalen-1-yl) sulfite?
The InChIKey is FWGUWXZGQCQXHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10O3S/c1-8-6-7-9-4-2-3-5-10(9)11(8)14-15(12)13/h2-7H,1H3,(H,12,13)/p-1.
What are the key properties of (2-methylnaphthalen-1-yl) sulfite?
(2-methylnaphthalen-1-yl) sulfite has a molecular weight of 221.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylnaphthalen-1-yl) sulfite is sourced from PubChem (CID 57254590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).