2-(diethylamino)ethylcarbamodithioic acid

C7H16N2S2 — CID 3032696

IUPAC2-(diethylamino)ethylcarbamodithioic acid
SMILESCCN(CC)CCNC(=S)S
InChIInChI=1S/C7H16N2S2/c1-3-9(4-2)6-5-8-7(10)11/h3-6H2,1-2H3,(H2,8,10,11)
InChIKeySJXGCZHADALIJA-UHFFFAOYSA-N
MW192.35 g/mol
LogP1.13
Rot. Bonds5

About 2-(diethylamino)ethylcarbamodithioic acid

2-(diethylamino)ethylcarbamodithioic acid (PubChem CID 3032696) has the molecular formula C7H16N2S2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-(diethylamino)ethylcarbamodithioic acid.

Molecular Properties

Compound Name2-(diethylamino)ethylcarbamodithioic acid
PubChem CID3032696
Molecular FormulaC7H16N2S2
Molecular Weight192.35 g/mol
Exact Mass192.08
IUPAC Name2-(diethylamino)ethylcarbamodithioic acid
SMILESCCN(CC)CCNC(=S)S
InChIInChI=1S/C7H16N2S2/c1-3-9(4-2)6-5-8-7(10)11/h3-6H2,1-2H3,(H2,8,10,11)
InChIKeySJXGCZHADALIJA-UHFFFAOYSA-N
XLogP1.13
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 51.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethylcarbamodithioic acid?
The IUPAC name of 2-(diethylamino)ethylcarbamodithioic acid (CID 3032696) is 2-(diethylamino)ethylcarbamodithioic acid.
What is the SMILES notation for 2-(diethylamino)ethylcarbamodithioic acid?
The canonical SMILES for 2-(diethylamino)ethylcarbamodithioic acid is CCN(CC)CCNC(=S)S.
What is the InChIKey of 2-(diethylamino)ethylcarbamodithioic acid?
The InChIKey is SJXGCZHADALIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S2/c1-3-9(4-2)6-5-8-7(10)11/h3-6H2,1-2H3,(H2,8,10,11).
What are the key properties of 2-(diethylamino)ethylcarbamodithioic acid?
2-(diethylamino)ethylcarbamodithioic acid has a molecular weight of 192.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethylcarbamodithioic acid is sourced from PubChem (CID 3032696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).