bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate

C9H18AsN3S6 — CID 19167

IUPACbis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S[As](SC(=S)N(C)C)SC(=S)N(C)C
InChIInChI=1S/C9H18AsN3S6/c1-11(2)7(14)17-10(18-8(15)12(3)4)19-9(16)13(5)6/h1-6H3
InChIKeyGAMFEMAXLMWCRG-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.71
Rot. Bonds3

About bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate

bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate (PubChem CID 19167) has the molecular formula C9H18AsN3S6 and a molecular weight of 435.59 g/mol. Its IUPAC name is bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namebis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate
PubChem CID19167
Molecular FormulaC9H18AsN3S6
Molecular Weight435.59 g/mol
Exact Mass434.90
IUPAC Namebis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)S[As](SC(=S)N(C)C)SC(=S)N(C)C
InChIInChI=1S/C9H18AsN3S6/c1-11(2)7(14)17-10(18-8(15)12(3)4)19-9(16)13(5)6/h1-6H3
InChIKeyGAMFEMAXLMWCRG-UHFFFAOYSA-N
XLogP2.71
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate?
The IUPAC name of bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate (CID 19167) is bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate?
The canonical SMILES for bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate is CN(C)C(=S)S[As](SC(=S)N(C)C)SC(=S)N(C)C.
What is the InChIKey of bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate?
The InChIKey is GAMFEMAXLMWCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18AsN3S6/c1-11(2)7(14)17-10(18-8(15)12(3)4)19-9(16)13(5)6/h1-6H3.
What are the key properties of bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate?
bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate has a molecular weight of 435.59 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylcarbamothioylsulfanyl)arsanyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 19167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).