diphenylstibanyl N,N-dimethylcarbamodithioate

C15H16NS2Sb — CID 16683311

IUPACdiphenylstibanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S[Sb](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C3H7NS2.Sb/c2*1-2-4-6-5-3-1;1-4(2)3(5)6;/h2*1-5H;1-2H3,(H,5,6);/q;;;+1/p-1
InChIKeyVPBMEPQVUQLCIX-UHFFFAOYSA-M
MW396.19 g/mol
LogP2.37
Rot. Bonds3

About diphenylstibanyl N,N-dimethylcarbamodithioate

diphenylstibanyl N,N-dimethylcarbamodithioate (PubChem CID 16683311) has the molecular formula C15H16NS2Sb and a molecular weight of 396.19 g/mol. Its IUPAC name is diphenylstibanyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namediphenylstibanyl N,N-dimethylcarbamodithioate
PubChem CID16683311
Molecular FormulaC15H16NS2Sb
Molecular Weight396.19 g/mol
Exact Mass394.98
IUPAC Namediphenylstibanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S[Sb](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C3H7NS2.Sb/c2*1-2-4-6-5-3-1;1-4(2)3(5)6;/h2*1-5H;1-2H3,(H,5,6);/q;;;+1/p-1
InChIKeyVPBMEPQVUQLCIX-UHFFFAOYSA-M
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenylstibanyl N,N-dimethylcarbamodithioate?
The IUPAC name of diphenylstibanyl N,N-dimethylcarbamodithioate (CID 16683311) is diphenylstibanyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for diphenylstibanyl N,N-dimethylcarbamodithioate?
The canonical SMILES for diphenylstibanyl N,N-dimethylcarbamodithioate is CN(C)C(=S)S[Sb](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylstibanyl N,N-dimethylcarbamodithioate?
The InChIKey is VPBMEPQVUQLCIX-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H5.C3H7NS2.Sb/c2*1-2-4-6-5-3-1;1-4(2)3(5)6;/h2*1-5H;1-2H3,(H,5,6);/q;;;+1/p-1.
What are the key properties of diphenylstibanyl N,N-dimethylcarbamodithioate?
diphenylstibanyl N,N-dimethylcarbamodithioate has a molecular weight of 396.19 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylstibanyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 16683311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).