1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid

C20H14O4S2 — CID 101353130

IUPAC1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid
SMILESO=S(O)c1ccc2ccccc2c1-c1c(S(=O)O)ccc2ccccc12
InChIInChI=1S/C20H14O4S2/c21-25(22)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)26(23)24/h1-12H,(H,21,22)(H,23,24)
InChIKeyLRPNXEIKEFFJKA-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.82
Rot. Bonds3

About 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid

1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid (PubChem CID 101353130) has the molecular formula C20H14O4S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid.

Molecular Properties

Compound Name1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid
PubChem CID101353130
Molecular FormulaC20H14O4S2
Molecular Weight382.46 g/mol
Exact Mass382.03
IUPAC Name1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid
SMILESO=S(O)c1ccc2ccccc2c1-c1c(S(=O)O)ccc2ccccc12
InChIInChI=1S/C20H14O4S2/c21-25(22)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)26(23)24/h1-12H,(H,21,22)(H,23,24)
InChIKeyLRPNXEIKEFFJKA-UHFFFAOYSA-N
XLogP4.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexylsulfinyl-1-(2-cyclohexylsulfinylnaphthalen-1-yl)naphthalene
CID 102361074
benzene-1,2-disulfinic acid
CID 19813698
4-chloronaphthalene-1-sulfinic acid
CID 20524871
2-methoxynaphthalene-1-sulfinic acid
CID 1484864
1-sulfonaphthalene-2-sulfinate
CID 57156667
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
(2-hydroxynaphthalen-1-yl) hydrogen sulfite
CID 57100995
phenanthrene;phosphinous acid
CID 174826862
[1-(2-sulfooxynaphthalen-1-yl)naphthalen-2-yl] hydrogen sulfate
CID 67157811
phenanthrene;phosphenous acid
CID 174573488
CID 175294092
CID 175294092
phenanthrene;phosphane
CID 161431298

Frequently Asked Questions

What is the IUPAC name of 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid?
The IUPAC name of 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid (CID 101353130) is 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid.
What is the SMILES notation for 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid?
The canonical SMILES for 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid is O=S(O)c1ccc2ccccc2c1-c1c(S(=O)O)ccc2ccccc12.
What is the InChIKey of 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid?
The InChIKey is LRPNXEIKEFFJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4S2/c21-25(22)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)26(23)24/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid?
1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid has a molecular weight of 382.46 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfinonaphthalen-1-yl)naphthalene-2-sulfinic acid is sourced from PubChem (CID 101353130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).