sodium;hydride;phenylmethanesulfinate

C7H8NaO2S- — CID 174980336

IUPACsodium;hydride;phenylmethanesulfinate
SMILESO=S([O-])Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H8O2S.Na.H/c8-10(9)6-7-4-2-1-3-5-7;;/h1-5H,6H2,(H,8,9);;/q;+1;-1/p-1
InChIKeyMXOYELGNXRJPDI-UHFFFAOYSA-M
MW179.20 g/mol
LogP-1.82
Rot. Bonds2

About sodium;hydride;phenylmethanesulfinate

sodium;hydride;phenylmethanesulfinate (PubChem CID 174980336) has the molecular formula C7H8NaO2S- and a molecular weight of 179.20 g/mol. Its IUPAC name is sodium;hydride;phenylmethanesulfinate.

Molecular Properties

Compound Namesodium;hydride;phenylmethanesulfinate
PubChem CID174980336
Molecular FormulaC7H8NaO2S-
Molecular Weight179.20 g/mol
Exact Mass179.01
IUPAC Namesodium;hydride;phenylmethanesulfinate
SMILESO=S([O-])Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H8O2S.Na.H/c8-10(9)6-7-4-2-1-3-5-7;;/h1-5H,6H2,(H,8,9);;/q;+1;-1/p-1
InChIKeyMXOYELGNXRJPDI-UHFFFAOYSA-M
XLogP-1.82
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-phenylethanesulfinate
CID 23702947
(4-sulfanylphenyl)methanesulfinate
CID 174470893
CID 174643724
CID 174643724
1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
1-(benzylsulfinylmethyl)-4-(methylsulfinylmethyl)benzene
CID 139841360
(4-ethenylphenyl)methanesulfinate
CID 174404889
[4-(2-chloro-2-oxoethyl)phenyl]methanesulfinate
CID 155023750
sodium;hydrogen sulfite;2-phenylacetaldehyde
CID 158174517
butan-2-ylsulfinylmethylbenzene
CID 13450422
sulfanyl phenylmethanesulfinate
CID 141352778
(2-carboxyphenyl)methanesulfinate
CID 57244136
thiophen-3-ylmethanesulfinate
CID 174844366

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenylmethanesulfinate?
The IUPAC name of sodium;hydride;phenylmethanesulfinate (CID 174980336) is sodium;hydride;phenylmethanesulfinate.
What is the SMILES notation for sodium;hydride;phenylmethanesulfinate?
The canonical SMILES for sodium;hydride;phenylmethanesulfinate is O=S([O-])Cc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenylmethanesulfinate?
The InChIKey is MXOYELGNXRJPDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O2S.Na.H/c8-10(9)6-7-4-2-1-3-5-7;;/h1-5H,6H2,(H,8,9);;/q;+1;-1/p-1.
What are the key properties of sodium;hydride;phenylmethanesulfinate?
sodium;hydride;phenylmethanesulfinate has a molecular weight of 179.20 g/mol, XLogP of -1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenylmethanesulfinate is sourced from PubChem (CID 174980336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).