ethanethiol

C2H6S — CID 6343

IUPACethanethiol
SMILESCCS
InChIInChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
InChIKeyDNJIEGIFACGWOD-UHFFFAOYSA-N
MW62.14 g/mol
LogP0.94
Rot. Bonds

About ethanethiol

ethanethiol (PubChem CID 6343) has the molecular formula C2H6S and a molecular weight of 62.14 g/mol. Its IUPAC name is ethanethiol.

Molecular Properties

Compound Nameethanethiol
PubChem CID6343
Molecular FormulaC2H6S
Molecular Weight62.14 g/mol
Exact Mass62.02
IUPAC Nameethanethiol
SMILESCCS
InChIInChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3
InChIKeyDNJIEGIFACGWOD-UHFFFAOYSA-N
XLogP0.94
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.14
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Propyl mercaptan
CID 7848
2-Propanethiol
CID 6364
1,1-Ethanedithiol
CID 33645
Ethanethiol-lambda2-plumbane (1:1)
CID 171041107
CH3CH2S
CID 519011
Thioethoxide
CID 12688643
Ethane-d5-thiol
CID 53769138
Ethylidenesulfanium
CID 85823146
1-Propane-d7-thiol
CID 129887254
1-Fluoroethanethiol
CID 18424679
(1R)-1-fluoroethanethiol
CID 173027853
(1S)-1-fluoroethanethiol
CID 173027892

Frequently Asked Questions

What is the IUPAC name of ethanethiol?
The IUPAC name of ethanethiol (CID 6343) is ethanethiol.
What is the SMILES notation for ethanethiol?
The canonical SMILES for ethanethiol is CCS.
What is the InChIKey of ethanethiol?
The InChIKey is DNJIEGIFACGWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3.
What are the key properties of ethanethiol?
ethanethiol has a molecular weight of 62.14 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiol is sourced from PubChem (CID 6343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).