magnesium;benzenethiol;hydride

C6H8MgS — CID 173349769

IUPACmagnesium;benzenethiol;hydride
SMILESSc1ccccc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H6S.Mg.2H/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;;/q;+2;2*-1
InChIKeyZDUNSLFEYYQJTR-UHFFFAOYSA-N
MW136.50 g/mol
LogP1.82
Rot. Bonds

About magnesium;benzenethiol;hydride

magnesium;benzenethiol;hydride (PubChem CID 173349769) has the molecular formula C6H8MgS and a molecular weight of 136.50 g/mol. Its IUPAC name is magnesium;benzenethiol;hydride.

Molecular Properties

Compound Namemagnesium;benzenethiol;hydride
PubChem CID173349769
Molecular FormulaC6H8MgS
Molecular Weight136.50 g/mol
Exact Mass136.02
IUPAC Namemagnesium;benzenethiol;hydride
SMILESSc1ccccc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H6S.Mg.2H/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;;/q;+2;2*-1
InChIKeyZDUNSLFEYYQJTR-UHFFFAOYSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium;benzenethiol;hydride
CID 173102690
potassium benzenethiol
CID 21480154
CID 175237801
CID 175237801
benzenethiol;palladium
CID 174858615
benzenethiol;methanamine
CID 174416805
benzenethiol;dioxotitanium
CID 174468726
benzenethiol;sulfur dioxide
CID 67056260
benzenethiol;chlorobenzene
CID 158473676
CID 172858912
CID 172858912
benzenethiol;butane;hydrate
CID 174869376
benzenethiol;ethane;4-methylbenzenethiol
CID 144560916
CID 21119592
CID 21119592

Frequently Asked Questions

What is the IUPAC name of magnesium;benzenethiol;hydride?
The IUPAC name of magnesium;benzenethiol;hydride (CID 173349769) is magnesium;benzenethiol;hydride.
What is the SMILES notation for magnesium;benzenethiol;hydride?
The canonical SMILES for magnesium;benzenethiol;hydride is Sc1ccccc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;benzenethiol;hydride?
The InChIKey is ZDUNSLFEYYQJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6S.Mg.2H/c7-6-4-2-1-3-5-6;;;/h1-5,7H;;;/q;+2;2*-1.
What are the key properties of magnesium;benzenethiol;hydride?
magnesium;benzenethiol;hydride has a molecular weight of 136.50 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;benzenethiol;hydride is sourced from PubChem (CID 173349769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).