N'-ethylethanedithioamide

C4H8N2S2 — CID 12684682

IUPACN'-ethylethanedithioamide
SMILESCCNC(=S)C(N)=S
InChIInChI=1S/C4H8N2S2/c1-2-6-4(8)3(5)7/h2H2,1H3,(H2,5,7)(H,6,8)
InChIKeyTUTOQTNIHPIGRN-UHFFFAOYSA-N
MW148.26 g/mol
LogP0.21
Rot. Bonds1

About N'-ethylethanedithioamide

N'-ethylethanedithioamide (PubChem CID 12684682) has the molecular formula C4H8N2S2 and a molecular weight of 148.26 g/mol. Its IUPAC name is N'-ethylethanedithioamide.

Molecular Properties

Compound NameN'-ethylethanedithioamide
PubChem CID12684682
Molecular FormulaC4H8N2S2
Molecular Weight148.26 g/mol
Exact Mass148.01
IUPAC NameN'-ethylethanedithioamide
SMILESCCNC(=S)C(N)=S
InChIInChI=1S/C4H8N2S2/c1-2-6-4(8)3(5)7/h2H2,1H3,(H2,5,7)(H,6,8)
InChIKeyTUTOQTNIHPIGRN-UHFFFAOYSA-N
XLogP0.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethylethanedithioamide?
The IUPAC name of N'-ethylethanedithioamide (CID 12684682) is N'-ethylethanedithioamide.
What is the SMILES notation for N'-ethylethanedithioamide?
The canonical SMILES for N'-ethylethanedithioamide is CCNC(=S)C(N)=S.
What is the InChIKey of N'-ethylethanedithioamide?
The InChIKey is TUTOQTNIHPIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S2/c1-2-6-4(8)3(5)7/h2H2,1H3,(H2,5,7)(H,6,8).
What are the key properties of N'-ethylethanedithioamide?
N'-ethylethanedithioamide has a molecular weight of 148.26 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethylethanedithioamide is sourced from PubChem (CID 12684682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).