diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate

C6H18N4OS4 — CID 86736991

IUPACdiazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-].[NH4+].[NH4+]
InChIInChI=1S/C6H12N2OS4.2H3N/c10-5(11)7-1-3-9-4-2-8-6(12)13;;/h1-4H2,(H2,7,10,11)(H2,8,12,13);2*1H3
InChIKeyFCSFVCTXMSPORN-UHFFFAOYSA-N
MW290.51 g/mol
LogP0.60
Rot. Bonds6

About diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate

diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (PubChem CID 86736991) has the molecular formula C6H18N4OS4 and a molecular weight of 290.51 g/mol. Its IUPAC name is diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.

Molecular Properties

Compound Namediazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
PubChem CID86736991
Molecular FormulaC6H18N4OS4
Molecular Weight290.51 g/mol
Exact Mass290.04
IUPAC Namediazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-].[NH4+].[NH4+]
InChIInChI=1S/C6H12N2OS4.2H3N/c10-5(11)7-1-3-9-4-2-8-6(12)13;;/h1-4H2,(H2,7,10,11)(H2,8,12,13);2*1H3
InChIKeyFCSFVCTXMSPORN-UHFFFAOYSA-N
XLogP0.60
TPSA106.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethylcarbamothioylsulfanyl N-(2-ethoxyethyl)carbamodithioate
CID 168679312
Bis(2-methoxyathylthiocarbamoyl)-disulfid
CID 129629798
2-Ethoxyethylcarbamodithioic acid
CID 17977456
2-[2-(Carbamothioylamino)ethoxy]ethylthiourea
CID 56622418
2-[2-(Dithiocarboxyamino)ethoxy]ethylcarbamodithioic acid
CID 86736992
(Oxydi-2,1-ethanediyl)biscarbamodithioate
CID 86736993
zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
CID 88755374
disodium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
CID 88755545
manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
CID 88755813
2-(Dithiocarboxyamino)ethoxymethanedithioic acid
CID 118518476
manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
CID 140326093
azanium N-(2-methoxyethyl)carbamodithioate
CID 161077623

Frequently Asked Questions

What is the IUPAC name of diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The IUPAC name of diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (CID 86736991) is diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.
What is the SMILES notation for diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The canonical SMILES for diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is S=C([S-])NCCOCCNC(=S)[S-].[NH4+].[NH4+].
What is the InChIKey of diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The InChIKey is FCSFVCTXMSPORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS4.2H3N/c10-5(11)7-1-3-9-4-2-8-6(12)13;;/h1-4H2,(H2,7,10,11)(H2,8,12,13);2*1H3.
What are the key properties of diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate has a molecular weight of 290.51 g/mol, XLogP of 0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is sourced from PubChem (CID 86736991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).