sodium;hydride;4-methylsulfanylphenol

C7H9NaOS — CID 174371659

IUPACsodium;hydride;4-methylsulfanylphenol
SMILESCSc1ccc(O)cc1.[H-].[Na+]
InChIInChI=1S/C7H8OS.Na.H/c1-9-7-4-2-6(8)3-5-7;;/h2-5,8H,1H3;;/q;+1;-1
InChIKeyLXTQLBCHLPEKPV-UHFFFAOYSA-N
MW164.20 g/mol
LogP-0.77
Rot. Bonds1

About sodium;hydride;4-methylsulfanylphenol

sodium;hydride;4-methylsulfanylphenol (PubChem CID 174371659) has the molecular formula C7H9NaOS and a molecular weight of 164.20 g/mol. Its IUPAC name is sodium;hydride;4-methylsulfanylphenol.

Molecular Properties

Compound Namesodium;hydride;4-methylsulfanylphenol
PubChem CID174371659
Molecular FormulaC7H9NaOS
Molecular Weight164.20 g/mol
Exact Mass164.03
IUPAC Namesodium;hydride;4-methylsulfanylphenol
SMILESCSc1ccc(O)cc1.[H-].[Na+]
InChIInChI=1S/C7H8OS.Na.H/c1-9-7-4-2-6(8)3-5-7;;/h2-5,8H,1H3;;/q;+1;-1
InChIKeyLXTQLBCHLPEKPV-UHFFFAOYSA-N
XLogP-0.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylsulfanylphenol;propan-2-one
CID 158861841
dichlorozirconium;bis(4-methylsulfanylphenol)
CID 174464956
1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
disodium;benzene-1,4-diol;hydride
CID 173178650
2-(4-hydroxyphenyl)-4-methylsulfanylphenol
CID 54170592
N-(4-hydroxyphenyl)-N-methyl-4-methylsulfanylbenzamide
CID 112726419
calcium;benzene-1,4-diol;hydride
CID 173044185
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
CID 158374715
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
1-methylsulfanyl-4-(trideuteriomethylsulfanyl)benzene
CID 10797313
1-bromo-4-methylsulfanyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 76972933

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-methylsulfanylphenol?
The IUPAC name of sodium;hydride;4-methylsulfanylphenol (CID 174371659) is sodium;hydride;4-methylsulfanylphenol.
What is the SMILES notation for sodium;hydride;4-methylsulfanylphenol?
The canonical SMILES for sodium;hydride;4-methylsulfanylphenol is CSc1ccc(O)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-methylsulfanylphenol?
The InChIKey is LXTQLBCHLPEKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS.Na.H/c1-9-7-4-2-6(8)3-5-7;;/h2-5,8H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;4-methylsulfanylphenol?
sodium;hydride;4-methylsulfanylphenol has a molecular weight of 164.20 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-methylsulfanylphenol is sourced from PubChem (CID 174371659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).