magnesium;carbanide;methanidylsulfanylbenzene

C8H10MgS — CID 177471984

IUPACmagnesium;carbanide;methanidylsulfanylbenzene
SMILES[CH2-]Sc1ccccc1.[CH3-].[Mg+2]
InChIInChI=1S/C7H7S.CH3.Mg/c1-8-7-5-3-2-4-6-7;;/h2-6H,1H2;1H3;/q2*-1;+2
InChIKeyJRHGYAFZOBFNLI-UHFFFAOYSA-N
MW162.54 g/mol
LogP2.64
Rot. Bonds1

About magnesium;carbanide;methanidylsulfanylbenzene

magnesium;carbanide;methanidylsulfanylbenzene (PubChem CID 177471984) has the molecular formula C8H10MgS and a molecular weight of 162.54 g/mol. Its IUPAC name is magnesium;carbanide;methanidylsulfanylbenzene.

Molecular Properties

Compound Namemagnesium;carbanide;methanidylsulfanylbenzene
PubChem CID177471984
Molecular FormulaC8H10MgS
Molecular Weight162.54 g/mol
Exact Mass162.04
IUPAC Namemagnesium;carbanide;methanidylsulfanylbenzene
SMILES[CH2-]Sc1ccccc1.[CH3-].[Mg+2]
InChIInChI=1S/C7H7S.CH3.Mg/c1-8-7-5-3-2-4-6-7;;/h2-6H,1H2;1H3;/q2*-1;+2
InChIKeyJRHGYAFZOBFNLI-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.54
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 66690055
CID 66690055
selanylsulfanylbenzene
CID 160613497
calcium sulfenatobenzene
CID 172805620
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
S-phenylthiohydroxylamine;hydrochloride
CID 162320806
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
bis(phenylsulfanyl)phosphane
CID 69055094
N-methyl-N-phenylsulfanylhydroxylamine
CID 126575432
methoxymethane;phenylsulfanylbenzene
CID 175087336
magnesium;methanidyl(diphenyl)phosphane;chloride
CID 87245376
dichlororuthenium;phenylsulfanylbenzene
CID 18541858
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;methanidylsulfanylbenzene?
The IUPAC name of magnesium;carbanide;methanidylsulfanylbenzene (CID 177471984) is magnesium;carbanide;methanidylsulfanylbenzene.
What is the SMILES notation for magnesium;carbanide;methanidylsulfanylbenzene?
The canonical SMILES for magnesium;carbanide;methanidylsulfanylbenzene is [CH2-]Sc1ccccc1.[CH3-].[Mg+2].
What is the InChIKey of magnesium;carbanide;methanidylsulfanylbenzene?
The InChIKey is JRHGYAFZOBFNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7S.CH3.Mg/c1-8-7-5-3-2-4-6-7;;/h2-6H,1H2;1H3;/q2*-1;+2.
What are the key properties of magnesium;carbanide;methanidylsulfanylbenzene?
magnesium;carbanide;methanidylsulfanylbenzene has a molecular weight of 162.54 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;carbanide;methanidylsulfanylbenzene is sourced from PubChem (CID 177471984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).