(5-iodonaphthalen-1-yl) hydrogen sulfite

C10H7IO3S — CID 174380050

IUPAC(5-iodonaphthalen-1-yl) hydrogen sulfite
SMILESO=S(O)Oc1cccc2c(I)cccc12
InChIInChI=1S/C10H7IO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)14-15(12)13/h1-6H,(H,12,13)
InChIKeyBVGYRLMOXQPIIQ-UHFFFAOYSA-N
MW334.13 g/mol
LogP2.96
Rot. Bonds2

About (5-iodonaphthalen-1-yl) hydrogen sulfite

(5-iodonaphthalen-1-yl) hydrogen sulfite (PubChem CID 174380050) has the molecular formula C10H7IO3S and a molecular weight of 334.13 g/mol. Its IUPAC name is (5-iodonaphthalen-1-yl) hydrogen sulfite.

Molecular Properties

Compound Name(5-iodonaphthalen-1-yl) hydrogen sulfite
PubChem CID174380050
Molecular FormulaC10H7IO3S
Molecular Weight334.13 g/mol
Exact Mass333.92
IUPAC Name(5-iodonaphthalen-1-yl) hydrogen sulfite
SMILESO=S(O)Oc1cccc2c(I)cccc12
InChIInChI=1S/C10H7IO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)14-15(12)13/h1-6H,(H,12,13)
InChIKeyBVGYRLMOXQPIIQ-UHFFFAOYSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-propan-2-ylnaphthalen-1-yl) hydrogen sulfite
CID 146276425
1-iodo-5-[(sulfinoamino)methyl]naphthalene
CID 67410527
(2-ethyl-3-methylphenyl) hydrogen sulfite
CID 68928017
(8-nitrosonaphthalen-1-yl) hydrogen sulfite
CID 174909507
(5-aminonaphthalen-1-yl) sulfite
CID 67552132
magnesium;hydride;naphthalen-1-yl sulfite
CID 174653300
5-methoxynaphthalene-1-sulfinic acid
CID 21331486
1-hydroperoxy-2-iodobenzene
CID 164852676
1-[cyclopropyl(sulfinato)amino]-5-iodonaphthalene
CID 67409921
[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl] 4-(5-sulfinooxynaphthalen-1-yl)naphthalene-1-carboxylate
CID 121444742
(2-propylphenyl) hydrogen sulfite
CID 141345430
[5-iodo-1-[5-iodo-2-(trifluoromethylsulfonyloxy)naphthalen-1-yl]naphthalen-2-yl] trifluoromethanesulfonate
CID 130383942

Frequently Asked Questions

What is the IUPAC name of (5-iodonaphthalen-1-yl) hydrogen sulfite?
The IUPAC name of (5-iodonaphthalen-1-yl) hydrogen sulfite (CID 174380050) is (5-iodonaphthalen-1-yl) hydrogen sulfite.
What is the SMILES notation for (5-iodonaphthalen-1-yl) hydrogen sulfite?
The canonical SMILES for (5-iodonaphthalen-1-yl) hydrogen sulfite is O=S(O)Oc1cccc2c(I)cccc12.
What is the InChIKey of (5-iodonaphthalen-1-yl) hydrogen sulfite?
The InChIKey is BVGYRLMOXQPIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO3S/c11-9-5-1-4-8-7(9)3-2-6-10(8)14-15(12)13/h1-6H,(H,12,13).
What are the key properties of (5-iodonaphthalen-1-yl) hydrogen sulfite?
(5-iodonaphthalen-1-yl) hydrogen sulfite has a molecular weight of 334.13 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodonaphthalen-1-yl) hydrogen sulfite is sourced from PubChem (CID 174380050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).