diethylcarbamodithioic acid;N-ethylethanamine

C9H22N2S2 — CID 15201

IUPACdiethylcarbamodithioic acid;N-ethylethanamine
SMILESCCN(CC)C(=S)S.CCNCC
InChIInChI=1S/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3
InChIKeyNBGTWXBPCIHUQD-UHFFFAOYSA-N
MW222.42 g/mol
LogP2.16
Rot. Bonds4

About diethylcarbamodithioic acid;N-ethylethanamine

diethylcarbamodithioic acid;N-ethylethanamine (PubChem CID 15201) has the molecular formula C9H22N2S2 and a molecular weight of 222.42 g/mol. Its IUPAC name is diethylcarbamodithioic acid;N-ethylethanamine.

Molecular Properties

Compound Namediethylcarbamodithioic acid;N-ethylethanamine
PubChem CID15201
Molecular FormulaC9H22N2S2
Molecular Weight222.42 g/mol
Exact Mass222.12
IUPAC Namediethylcarbamodithioic acid;N-ethylethanamine
SMILESCCN(CC)C(=S)S.CCNCC
InChIInChI=1S/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3
InChIKeyNBGTWXBPCIHUQD-UHFFFAOYSA-N
XLogP2.16
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze diethylcarbamodithioic acid;N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethylcarbamodithioic acid;lanthanum
CID 174709287
alumane;diethylcarbamodithioic acid
CID 174602064
diethylcarbamodithioic acid;molybdenum
CID 159441063
CID 157101395
CID 157101395
sodium;diethylcarbamodithioic acid;hydride
CID 173014233
CID 87899973
CID 87899973
azane;diethylcarbamodithioic acid;hydrate
CID 174606289
ethyl(hydroxymethyl)carbamodithioic acid
CID 101457611
N-ethylprop-2-en-1-amine;ethyl(prop-2-enyl)carbamodithioic acid
CID 88674834
zinc;N,N-diethylcarbamodithioate;diethylcarbamodithioic acid
CID 160652871
diethylcarbamodithioic acid;prop-2-en-1-amine
CID 173061027
bis(ethylamino)carbamodithioic acid
CID 141385732

Frequently Asked Questions

What is the IUPAC name of diethylcarbamodithioic acid;N-ethylethanamine?
The IUPAC name of diethylcarbamodithioic acid;N-ethylethanamine (CID 15201) is diethylcarbamodithioic acid;N-ethylethanamine.
What is the SMILES notation for diethylcarbamodithioic acid;N-ethylethanamine?
The canonical SMILES for diethylcarbamodithioic acid;N-ethylethanamine is CCN(CC)C(=S)S.CCNCC.
What is the InChIKey of diethylcarbamodithioic acid;N-ethylethanamine?
The InChIKey is NBGTWXBPCIHUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2.C4H11N/c1-3-6(4-2)5(7)8;1-3-5-4-2/h3-4H2,1-2H3,(H,7,8);5H,3-4H2,1-2H3.
What are the key properties of diethylcarbamodithioic acid;N-ethylethanamine?
diethylcarbamodithioic acid;N-ethylethanamine has a molecular weight of 222.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylcarbamodithioic acid;N-ethylethanamine is sourced from PubChem (CID 15201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).