[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate

C7H15AsN2S4 — CID 17128

IUPAC[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S[As](C)SC(=S)N(C)C
InChIInChI=1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3
InChIKeyFRDDEJAABOMVCH-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.26
Rot. Bonds2

About [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate

[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate (PubChem CID 17128) has the molecular formula C7H15AsN2S4 and a molecular weight of 330.40 g/mol. Its IUPAC name is [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate
PubChem CID17128
Molecular FormulaC7H15AsN2S4
Molecular Weight330.40 g/mol
Exact Mass329.93
IUPAC Name[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S[As](C)SC(=S)N(C)C
InChIInChI=1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3
InChIKeyFRDDEJAABOMVCH-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate?
The IUPAC name of [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate (CID 17128) is [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate.
What is the SMILES notation for [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate?
The canonical SMILES for [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate is CN(C)C(=S)S[As](C)SC(=S)N(C)C.
What is the InChIKey of [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate?
The InChIKey is FRDDEJAABOMVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3.
What are the key properties of [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate?
[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate has a molecular weight of 330.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate is sourced from PubChem (CID 17128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).