diethylazanium;N,N-dimethylcarbamodithioate

C7H18N2S2 — CID 88754344

IUPACdiethylazanium;N,N-dimethylcarbamodithioate
SMILESCC[NH2+]CC.CN(C)C(=S)[S-]
InChIInChI=1S/C4H11N.C3H7NS2/c1-3-5-4-2;1-4(2)3(5)6/h5H,3-4H2,1-2H3;1-2H3,(H,5,6)
InChIKeyPLPBMTZPVNVYRN-UHFFFAOYSA-N
MW194.37 g/mol
LogP-0.03
Rot. Bonds2

About diethylazanium;N,N-dimethylcarbamodithioate

diethylazanium;N,N-dimethylcarbamodithioate (PubChem CID 88754344) has the molecular formula C7H18N2S2 and a molecular weight of 194.37 g/mol. Its IUPAC name is diethylazanium;N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Namediethylazanium;N,N-dimethylcarbamodithioate
PubChem CID88754344
Molecular FormulaC7H18N2S2
Molecular Weight194.37 g/mol
Exact Mass194.09
IUPAC Namediethylazanium;N,N-dimethylcarbamodithioate
SMILESCC[NH2+]CC.CN(C)C(=S)[S-]
InChIInChI=1S/C4H11N.C3H7NS2/c1-3-5-4-2;1-4(2)3(5)6/h5H,3-4H2,1-2H3;1-2H3,(H,5,6)
InChIKeyPLPBMTZPVNVYRN-UHFFFAOYSA-N
XLogP-0.03
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.37
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethylazanium;N,N-dimethylcarbamodithioate?
The IUPAC name of diethylazanium;N,N-dimethylcarbamodithioate (CID 88754344) is diethylazanium;N,N-dimethylcarbamodithioate.
What is the SMILES notation for diethylazanium;N,N-dimethylcarbamodithioate?
The canonical SMILES for diethylazanium;N,N-dimethylcarbamodithioate is CC[NH2+]CC.CN(C)C(=S)[S-].
What is the InChIKey of diethylazanium;N,N-dimethylcarbamodithioate?
The InChIKey is PLPBMTZPVNVYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C3H7NS2/c1-3-5-4-2;1-4(2)3(5)6/h5H,3-4H2,1-2H3;1-2H3,(H,5,6).
What are the key properties of diethylazanium;N,N-dimethylcarbamodithioate?
diethylazanium;N,N-dimethylcarbamodithioate has a molecular weight of 194.37 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylazanium;N,N-dimethylcarbamodithioate is sourced from PubChem (CID 88754344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).