2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate

C10H18N4S6 — CID 45058867

IUPAC2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SC(=S)NCCNC(=S)SC(=S)N(C)C
InChIInChI=1S/C10H18N4S6/c1-13(2)9(17)19-7(15)11-5-6-12-8(16)20-10(18)14(3)4/h5-6H2,1-4H3,(H,11,15)(H,12,16)
InChIKeyRWMAXWSZXIWPHK-UHFFFAOYSA-N
MW386.68 g/mol
LogP1.89
Rot. Bonds3

About 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate

2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate (PubChem CID 45058867) has the molecular formula C10H18N4S6 and a molecular weight of 386.68 g/mol. Its IUPAC name is 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate
PubChem CID45058867
Molecular FormulaC10H18N4S6
Molecular Weight386.68 g/mol
Exact Mass385.99
IUPAC Name2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SC(=S)NCCNC(=S)SC(=S)N(C)C
InChIInChI=1S/C10H18N4S6/c1-13(2)9(17)19-7(15)11-5-6-12-8(16)20-10(18)14(3)4/h5-6H2,1-4H3,(H,11,15)(H,12,16)
InChIKeyRWMAXWSZXIWPHK-UHFFFAOYSA-N
XLogP1.89
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.68
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate?
The IUPAC name of 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate (CID 45058867) is 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate?
The canonical SMILES for 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate is CN(C)C(=S)SC(=S)NCCNC(=S)SC(=S)N(C)C.
What is the InChIKey of 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate?
The InChIKey is RWMAXWSZXIWPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S6/c1-13(2)9(17)19-7(15)11-5-6-12-8(16)20-10(18)14(3)4/h5-6H2,1-4H3,(H,11,15)(H,12,16).
What are the key properties of 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate?
2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate has a molecular weight of 386.68 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamothioylsulfanylcarbothioylamino)ethylcarbamothioyl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 45058867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).