sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol

C11H17NaS — CID 173214846

IUPACsodium;hydride;2,3,4,5,6-pentamethylbenzenethiol
SMILESCc1c(C)c(C)c(S)c(C)c1C.[H-].[Na+]
InChIInChI=1S/C11H16S.Na.H/c1-6-7(2)9(4)11(12)10(5)8(6)3;;/h12H,1-5H3;;/q;+1;-1
InChIKeyJJNGPKQZHWOXRG-UHFFFAOYSA-N
MW204.31 g/mol
LogP0.63
Rot. Bonds

About sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol

sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol (PubChem CID 173214846) has the molecular formula C11H17NaS and a molecular weight of 204.31 g/mol. Its IUPAC name is sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol.

Molecular Properties

Compound Namesodium;hydride;2,3,4,5,6-pentamethylbenzenethiol
PubChem CID173214846
Molecular FormulaC11H17NaS
Molecular Weight204.31 g/mol
Exact Mass204.09
IUPAC Namesodium;hydride;2,3,4,5,6-pentamethylbenzenethiol
SMILESCc1c(C)c(C)c(S)c(C)c1C.[H-].[Na+]
InChIInChI=1S/C11H16S.Na.H/c1-6-7(2)9(4)11(12)10(5)8(6)3;;/h12H,1-5H3;;/q;+1;-1
InChIKeyJJNGPKQZHWOXRG-UHFFFAOYSA-N
XLogP0.63
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol?
The IUPAC name of sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol (CID 173214846) is sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol.
What is the SMILES notation for sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol?
The canonical SMILES for sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol is Cc1c(C)c(C)c(S)c(C)c1C.[H-].[Na+].
What is the InChIKey of sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol?
The InChIKey is JJNGPKQZHWOXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S.Na.H/c1-6-7(2)9(4)11(12)10(5)8(6)3;;/h12H,1-5H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol?
sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol has a molecular weight of 204.31 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2,3,4,5,6-pentamethylbenzenethiol is sourced from PubChem (CID 173214846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).