[tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate

C12H24N4S8Te — CID 141312175

IUPAC[tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S[Te](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C
InChIInChI=1S/C12H24N4S8Te/c1-13(2)9(17)21-25(22-10(18)14(3)4,23-11(19)15(5)6)24-12(20)16(7)8/h1-8H3
InChIKeyJQAPSMRAHFUICL-UHFFFAOYSA-N
MW608.49 g/mol
LogP3.74
Rot. Bonds4

About [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate

[tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate (PubChem CID 141312175) has the molecular formula C12H24N4S8Te and a molecular weight of 608.49 g/mol. Its IUPAC name is [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate
PubChem CID141312175
Molecular FormulaC12H24N4S8Te
Molecular Weight608.49 g/mol
Exact Mass609.88
IUPAC Name[tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S[Te](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C
InChIInChI=1S/C12H24N4S8Te/c1-13(2)9(17)21-25(22-10(18)14(3)4,23-11(19)15(5)6)24-12(20)16(7)8/h1-8H3
InChIKeyJQAPSMRAHFUICL-UHFFFAOYSA-N
XLogP3.74
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate (CID 141312175) is [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)S[Te](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C.
What is the InChIKey of [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate?
The InChIKey is JQAPSMRAHFUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S8Te/c1-13(2)9(17)21-25(22-10(18)14(3)4,23-11(19)15(5)6)24-12(20)16(7)8/h1-8H3.
What are the key properties of [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate?
[tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate has a molecular weight of 608.49 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [tris(dimethylcarbamothioylsulfanyl)-λ4-tellanyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 141312175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).