sodium;6-bromonaphthalene-2-sulfinic acid;hydride

C10H8BrNaO2S — CID 173179397

IUPACsodium;6-bromonaphthalene-2-sulfinic acid;hydride
SMILESO=S(O)c1ccc2cc(Br)ccc2c1.[H-].[Na+]
InChIInChI=1S/C10H7BrO2S.Na.H/c11-9-3-1-8-6-10(14(12)13)4-2-7(8)5-9;;/h1-6H,(H,12,13);;/q;+1;-1
InChIKeyIKVLOFQRUXRHHQ-UHFFFAOYSA-N
MW295.13 g/mol
LogP0.30
Rot. Bonds1

About sodium;6-bromonaphthalene-2-sulfinic acid;hydride

sodium;6-bromonaphthalene-2-sulfinic acid;hydride (PubChem CID 173179397) has the molecular formula C10H8BrNaO2S and a molecular weight of 295.13 g/mol. Its IUPAC name is sodium;6-bromonaphthalene-2-sulfinic acid;hydride.

Molecular Properties

Compound Namesodium;6-bromonaphthalene-2-sulfinic acid;hydride
PubChem CID173179397
Molecular FormulaC10H8BrNaO2S
Molecular Weight295.13 g/mol
Exact Mass293.93
IUPAC Namesodium;6-bromonaphthalene-2-sulfinic acid;hydride
SMILESO=S(O)c1ccc2cc(Br)ccc2c1.[H-].[Na+]
InChIInChI=1S/C10H7BrO2S.Na.H/c11-9-3-1-8-6-10(14(12)13)4-2-7(8)5-9;;/h1-6H,(H,12,13);;/q;+1;-1
InChIKeyIKVLOFQRUXRHHQ-UHFFFAOYSA-N
XLogP0.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-sulfinonaphthalene-2-sulfinate
CID 59930954
2,6-dibromonaphthalene
CID 640591
3-(3-bromophenoxy)benzenesulfinic acid
CID 57445485
2-bromonaphthalene
CID 50940586
1-benzothiophene-6-sulfinic acid
CID 69276516
sodium;hydride;8-phenylnaphthalene-2-sulfinic acid
CID 173441375
2-bromo-6-(2-methylsulfanyl-2-methylsulfinylethenyl)naphthalene
CID 139662111
sodium;9,10-dioxoanthracene-2-sulfinic acid;hydride
CID 173405100
4-bromo-2-fluorobenzenesulfinic acid
CID 50998727
2-bromo-6-methylsulfanylnaphthalene
CID 22018449
6-bromo-1-[6-bromo-2-(trifluoromethoxy)naphthalen-1-yl]naphthalene-2-sulfinic acid
CID 150356144
sodium 4-bromobenzenesulfinate
CID 42622221

Frequently Asked Questions

What is the IUPAC name of sodium;6-bromonaphthalene-2-sulfinic acid;hydride?
The IUPAC name of sodium;6-bromonaphthalene-2-sulfinic acid;hydride (CID 173179397) is sodium;6-bromonaphthalene-2-sulfinic acid;hydride.
What is the SMILES notation for sodium;6-bromonaphthalene-2-sulfinic acid;hydride?
The canonical SMILES for sodium;6-bromonaphthalene-2-sulfinic acid;hydride is O=S(O)c1ccc2cc(Br)ccc2c1.[H-].[Na+].
What is the InChIKey of sodium;6-bromonaphthalene-2-sulfinic acid;hydride?
The InChIKey is IKVLOFQRUXRHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S.Na.H/c11-9-3-1-8-6-10(14(12)13)4-2-7(8)5-9;;/h1-6H,(H,12,13);;/q;+1;-1.
What are the key properties of sodium;6-bromonaphthalene-2-sulfinic acid;hydride?
sodium;6-bromonaphthalene-2-sulfinic acid;hydride has a molecular weight of 295.13 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;6-bromonaphthalene-2-sulfinic acid;hydride is sourced from PubChem (CID 173179397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).