ethanethiolate

C2H5S- — CID 12688643

IUPACethanethiolate
SMILESCC[S-]
InChIInChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3/p-1
InChIKeyDNJIEGIFACGWOD-UHFFFAOYSA-M
MW61.13 g/mol
LogP0.55
Rot. Bonds

About ethanethiolate

ethanethiolate (PubChem CID 12688643) has the molecular formula C2H5S- and a molecular weight of 61.13 g/mol. Its IUPAC name is ethanethiolate.

Molecular Properties

Compound Nameethanethiolate
PubChem CID12688643
Molecular FormulaC2H5S-
Molecular Weight61.13 g/mol
Exact Mass61.01
IUPAC Nameethanethiolate
SMILESCC[S-]
InChIInChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3/p-1
InChIKeyDNJIEGIFACGWOD-UHFFFAOYSA-M
XLogP0.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.13
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze ethanethiolate 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

Ethanethiol
CID 6343
Sodium ethanethiolate
CID 4459711
Ethanethial
CID 123241
Lithium thioethoxide
CID 10866251
Ethanesulfenothioic acid
CID 94671
Propylthio radical
CID 138398
Ethanesulfenyl chloride
CID 12275523
Thiopropoxide
CID 21633594
CH3CH2S
CID 519011
Potassium Ethanethiolate
CID 11768507
Silver ethanethiolate
CID 12230775
Trithiapentane
CID 15773585

Frequently Asked Questions

What is the IUPAC name of ethanethiolate?
The IUPAC name of ethanethiolate (CID 12688643) is ethanethiolate.
What is the SMILES notation for ethanethiolate?
The canonical SMILES for ethanethiolate is CC[S-].
What is the InChIKey of ethanethiolate?
The InChIKey is DNJIEGIFACGWOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3/p-1.
What are the key properties of ethanethiolate?
ethanethiolate has a molecular weight of 61.13 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiolate is sourced from PubChem (CID 12688643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).