magnesium;methylsulfanylbenzene;chloride

C7H7ClMgS — CID 10932079

IUPACmagnesium;methylsulfanylbenzene;chloride
SMILESCSc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H7S.ClH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyDUVCZMPPBIBDOI-UHFFFAOYSA-M
MW182.96 g/mol
LogP-1.17
Rot. Bonds1

About magnesium;methylsulfanylbenzene;chloride

magnesium;methylsulfanylbenzene;chloride (PubChem CID 10932079) has the molecular formula C7H7ClMgS and a molecular weight of 182.96 g/mol. Its IUPAC name is magnesium;methylsulfanylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;methylsulfanylbenzene;chloride
PubChem CID10932079
Molecular FormulaC7H7ClMgS
Molecular Weight182.96 g/mol
Exact Mass181.98
IUPAC Namemagnesium;methylsulfanylbenzene;chloride
SMILESCSc1cc[c-]cc1.[Cl-].[Mg+2]
InChIInChI=1S/C7H7S.ClH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKeyDUVCZMPPBIBDOI-UHFFFAOYSA-M
XLogP-1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.96
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze magnesium;methylsulfanylbenzene;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of magnesium;methylsulfanylbenzene;chloride?
The IUPAC name of magnesium;methylsulfanylbenzene;chloride (CID 10932079) is magnesium;methylsulfanylbenzene;chloride.
What is the SMILES notation for magnesium;methylsulfanylbenzene;chloride?
The canonical SMILES for magnesium;methylsulfanylbenzene;chloride is CSc1cc[c-]cc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;methylsulfanylbenzene;chloride?
The InChIKey is DUVCZMPPBIBDOI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7S.ClH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;methylsulfanylbenzene;chloride?
magnesium;methylsulfanylbenzene;chloride has a molecular weight of 182.96 g/mol, XLogP of -1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;methylsulfanylbenzene;chloride is sourced from PubChem (CID 10932079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).