dimagnesium;phenylazanidylmethanedithioate;dibromide

C7H5Br2Mg2NS2 — CID 134871517

IUPACdimagnesium;phenylazanidylmethanedithioate;dibromide
SMILESS=C([S-])[N-]c1ccccc1.[Br-].[Br-].[Mg+2].[Mg+2]
InChIInChI=1S/C7H7NS2.2BrH.2Mg/c9-7(10)8-6-4-2-1-3-5-6;;;;/h1-5H,(H2,8,9,10);2*1H;;/q;;;2*+2/p-4
InChIKeyNTHILSHVMJHNML-UHFFFAOYSA-J
MW375.68 g/mol
LogP-4.23
Rot. Bonds1

About dimagnesium;phenylazanidylmethanedithioate;dibromide

dimagnesium;phenylazanidylmethanedithioate;dibromide (PubChem CID 134871517) has the molecular formula C7H5Br2Mg2NS2 and a molecular weight of 375.68 g/mol. Its IUPAC name is dimagnesium;phenylazanidylmethanedithioate;dibromide.

Molecular Properties

Compound Namedimagnesium;phenylazanidylmethanedithioate;dibromide
PubChem CID134871517
Molecular FormulaC7H5Br2Mg2NS2
Molecular Weight375.68 g/mol
Exact Mass372.79
IUPAC Namedimagnesium;phenylazanidylmethanedithioate;dibromide
SMILESS=C([S-])[N-]c1ccccc1.[Br-].[Br-].[Mg+2].[Mg+2]
InChIInChI=1S/C7H7NS2.2BrH.2Mg/c9-7(10)8-6-4-2-1-3-5-6;;;;/h1-5H,(H2,8,9,10);2*1H;;/q;;;2*+2/p-4
InChIKeyNTHILSHVMJHNML-UHFFFAOYSA-J
XLogP-4.23
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 5-4.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

tris(diphenylazanide);bis(iron(3+));tribromide
CID 173104294
magnesium bis(diphenylazanide)
CID 15502538
lithium acetyl(phenyl)azanide
CID 10877200
sodium;benzenecarbodithioate;hydrate
CID 141096232
phenylsulfanylmethanedithioate
CID 57376019
potassium N,N-diphenylcarbamodithioate
CID 23672385
phenyl(2-phenylazanidylethyl)azanide;zirconium(4+);dibromide
CID 161083184
(E)-1,2-diphenylethene-1,2-dithiolate
CID 102075609
2,2-bis(diphenylphosphanyl)ethanedithioate
CID 102010379
bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)
CID 139129664
sodium N-(2-phenylethyl)carbamodithioate
CID 23697126
potassium N-(2,2-diphenylethyl)carbamodithioate
CID 118002366

Frequently Asked Questions

What is the IUPAC name of dimagnesium;phenylazanidylmethanedithioate;dibromide?
The IUPAC name of dimagnesium;phenylazanidylmethanedithioate;dibromide (CID 134871517) is dimagnesium;phenylazanidylmethanedithioate;dibromide.
What is the SMILES notation for dimagnesium;phenylazanidylmethanedithioate;dibromide?
The canonical SMILES for dimagnesium;phenylazanidylmethanedithioate;dibromide is S=C([S-])[N-]c1ccccc1.[Br-].[Br-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;phenylazanidylmethanedithioate;dibromide?
The InChIKey is NTHILSHVMJHNML-UHFFFAOYSA-J. The full InChI is InChI=1S/C7H7NS2.2BrH.2Mg/c9-7(10)8-6-4-2-1-3-5-6;;;;/h1-5H,(H2,8,9,10);2*1H;;/q;;;2*+2/p-4.
What are the key properties of dimagnesium;phenylazanidylmethanedithioate;dibromide?
dimagnesium;phenylazanidylmethanedithioate;dibromide has a molecular weight of 375.68 g/mol, XLogP of -4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;phenylazanidylmethanedithioate;dibromide is sourced from PubChem (CID 134871517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).