ethyl N-ethylmethanimidothioate

C5H11NS — CID 88563208

IUPACethyl N-ethylmethanimidothioate
SMILESCC/N=C/SCC
InChIInChI=1S/C5H11NS/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3/b6-5+
InChIKeyJASAGKBDEUDWDC-AATRIKPKSA-N
MW117.22 g/mol
LogP1.79
Rot. Bonds3

About ethyl N-ethylmethanimidothioate

ethyl N-ethylmethanimidothioate (PubChem CID 88563208) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is ethyl N-ethylmethanimidothioate.

Molecular Properties

Compound Nameethyl N-ethylmethanimidothioate
PubChem CID88563208
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Nameethyl N-ethylmethanimidothioate
SMILESCC/N=C/SCC
InChIInChI=1S/C5H11NS/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3/b6-5+
InChIKeyJASAGKBDEUDWDC-AATRIKPKSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl N-ethylmethanimidothioate 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

5-Methyl-4,5-dihydro-1,3-thiazole
CID 13901673
5,5-Dimethyl-4,5-dihydro-1,3-thiazole
CID 22284073
2-(Ethylsulfanyl)-4,5-dihydro-1,3-thiazole
CID 275653
6-methyl-5,6-dihydro-4H-1,3-thiazine
CID 12485352
Ethylsulfanylmethylidene(dimethyl)azanium
CID 13403330
5-Ethyl-4,5-dihydro-1,3-thiazole
CID 13901674
1,1-Dimethyl-4,5-dihydro-1,3-thiazole
CID 18721523
3-Methyl-4,5-dihydro-1,3-thiazol-3-ium
CID 19826783
N-methyl-2-methylsulfanylethanimine
CID 22943232
methyl N-ethylethanimidothioate
CID 22948554
3-Ethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 23504377
1-ethylsulfanyl-N-propylmethanimine;tungsten(2+)
CID 59898510

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethylmethanimidothioate?
The IUPAC name of ethyl N-ethylmethanimidothioate (CID 88563208) is ethyl N-ethylmethanimidothioate.
What is the SMILES notation for ethyl N-ethylmethanimidothioate?
The canonical SMILES for ethyl N-ethylmethanimidothioate is CC/N=C/SCC.
What is the InChIKey of ethyl N-ethylmethanimidothioate?
The InChIKey is JASAGKBDEUDWDC-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NS/c1-3-6-5-7-4-2/h5H,3-4H2,1-2H3/b6-5+.
What are the key properties of ethyl N-ethylmethanimidothioate?
ethyl N-ethylmethanimidothioate has a molecular weight of 117.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethylmethanimidothioate is sourced from PubChem (CID 88563208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).