S-ethyl N,N-diethylcarbamothioate

C7H15NOS — CID 18055

IUPACS-ethyl N,N-diethylcarbamothioate
SMILESCCSC(=O)N(CC)CC
InChIInChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
InChIKeyWARIWGPBHKPYON-UHFFFAOYSA-N
MW161.27 g/mol
LogP2.20
Rot. Bonds3

About S-ethyl N,N-diethylcarbamothioate

S-ethyl N,N-diethylcarbamothioate (PubChem CID 18055) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is S-ethyl N,N-diethylcarbamothioate.

Molecular Properties

Compound NameS-ethyl N,N-diethylcarbamothioate
PubChem CID18055
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameS-ethyl N,N-diethylcarbamothioate
SMILESCCSC(=O)N(CC)CC
InChIInChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3
InChIKeyWARIWGPBHKPYON-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-ethyl N,N-diethylcarbamothioate 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 S-ethyl N,N-diethylcarbamothioate?
The IUPAC name of S-ethyl N,N-diethylcarbamothioate (CID 18055) is S-ethyl N,N-diethylcarbamothioate.
What is the SMILES notation for S-ethyl N,N-diethylcarbamothioate?
The canonical SMILES for S-ethyl N,N-diethylcarbamothioate is CCSC(=O)N(CC)CC.
What is the InChIKey of S-ethyl N,N-diethylcarbamothioate?
The InChIKey is WARIWGPBHKPYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)10-6-3/h4-6H2,1-3H3.
What are the key properties of S-ethyl N,N-diethylcarbamothioate?
S-ethyl N,N-diethylcarbamothioate has a molecular weight of 161.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-ethyl N,N-diethylcarbamothioate is sourced from PubChem (CID 18055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).