sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane

C7H7NaOS2 — CID 67929941

IUPACsodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane
SMILESCc1ccc(S([O-])=S)cc1.[Na+]
InChIInChI=1S/C7H8OS2.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChIKeyLTJLJRITXLSZQH-UHFFFAOYSA-M
MW194.26 g/mol
LogP-1.43
Rot. Bonds1

About sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane

sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane (PubChem CID 67929941) has the molecular formula C7H7NaOS2 and a molecular weight of 194.26 g/mol. Its IUPAC name is sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Namesodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane
PubChem CID67929941
Molecular FormulaC7H7NaOS2
Molecular Weight194.26 g/mol
Exact Mass193.98
IUPAC Namesodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane
SMILESCc1ccc(S([O-])=S)cc1.[Na+]
InChIInChI=1S/C7H8OS2.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChIKeyLTJLJRITXLSZQH-UHFFFAOYSA-M
XLogP-1.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cadmium(2+);bis(4-methylbenzenesulfinate)
CID 139758343
barium(2+);bis(4-methylbenzenesulfinate)
CID 87486582
chloromercury(1+);4-methylbenzenesulfinate
CID 134889927
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
methyl-methylidene-(4-methylphenyl)-λ4-sulfane
CID 59881740
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
platinum;1,4-xylene
CID 173034643
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
benzene;bis(1,4-xylene)
CID 159472747
potassium;hydride;1,4-xylene
CID 173420414

Frequently Asked Questions

What is the IUPAC name of sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane?
The IUPAC name of sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane (CID 67929941) is sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane.
What is the SMILES notation for sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane?
The canonical SMILES for sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane is Cc1ccc(S([O-])=S)cc1.[Na+].
What is the InChIKey of sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane?
The InChIKey is LTJLJRITXLSZQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8OS2.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane?
sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane has a molecular weight of 194.26 g/mol, XLogP of -1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-methylphenyl)-oxido-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 67929941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).