ethenyl N,N-diethylcarbamodithioate

C7H13NS2 — CID 3042902

IUPACethenyl N,N-diethylcarbamodithioate
SMILESC=CSC(=S)N(CC)CC
InChIInChI=1S/C7H13NS2/c1-4-8(5-2)7(9)10-6-3/h6H,3-5H2,1-2H3
InChIKeyZGDBHFAHLULBLA-UHFFFAOYSA-N
MW175.32 g/mol
LogP2.49
Rot. Bonds3

About ethenyl N,N-diethylcarbamodithioate

ethenyl N,N-diethylcarbamodithioate (PubChem CID 3042902) has the molecular formula C7H13NS2 and a molecular weight of 175.32 g/mol. Its IUPAC name is ethenyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Nameethenyl N,N-diethylcarbamodithioate
PubChem CID3042902
Molecular FormulaC7H13NS2
Molecular Weight175.32 g/mol
Exact Mass175.05
IUPAC Nameethenyl N,N-diethylcarbamodithioate
SMILESC=CSC(=S)N(CC)CC
InChIInChI=1S/C7H13NS2/c1-4-8(5-2)7(9)10-6-3/h6H,3-5H2,1-2H3
InChIKeyZGDBHFAHLULBLA-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethenyl N,N-diethylcarbamodithioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethenyl N,N-diethylcarbamodithioate?
The IUPAC name of ethenyl N,N-diethylcarbamodithioate (CID 3042902) is ethenyl N,N-diethylcarbamodithioate.
What is the SMILES notation for ethenyl N,N-diethylcarbamodithioate?
The canonical SMILES for ethenyl N,N-diethylcarbamodithioate is C=CSC(=S)N(CC)CC.
What is the InChIKey of ethenyl N,N-diethylcarbamodithioate?
The InChIKey is ZGDBHFAHLULBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS2/c1-4-8(5-2)7(9)10-6-3/h6H,3-5H2,1-2H3.
What are the key properties of ethenyl N,N-diethylcarbamodithioate?
ethenyl N,N-diethylcarbamodithioate has a molecular weight of 175.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N,N-diethylcarbamodithioate is sourced from PubChem (CID 3042902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).