CID 162340121

C3H8KO2S2 — CID 162340121

IUPAC—
SMILESCCOC(=S)S.O.[K]
InChIInChI=1S/C3H6OS2.K.H2O/c1-2-4-3(5)6;;/h2H2,1H3,(H,5,6);;1H2
InChIKeyJEKOUUUBXCXNRG-UHFFFAOYSA-N
MW179.33 g/mol
LogP0.03
Rot. Bonds1

About CID 162340121

CID 162340121 (PubChem CID 162340121) has the molecular formula C3H8KO2S2 and a molecular weight of 179.33 g/mol.

Molecular Properties

Compound NameCID 162340121
PubChem CID162340121
Molecular FormulaC3H8KO2S2
Molecular Weight179.33 g/mol
Exact Mass178.96
IUPAC Name—
SMILESCCOC(=S)S.O.[K]
InChIInChI=1S/C3H6OS2.K.H2O/c1-2-4-3(5)6;;/h2H2,1H3,(H,5,6);;1H2
InChIKeyJEKOUUUBXCXNRG-UHFFFAOYSA-N
XLogP0.03
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.33
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethoxymethanedithioic acid
CID 8823
ethoxymethanedithioic acid;nickel
CID 54611890
bis(ethoxymethanedithioic acid);sulfane
CID 88801631
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
CID 131880811
CID 131880811
bis(ethoxymethanedithioic acid);ruthenium(2+)
CID 50910321
sodium;ethoxymethanedithioic acid;hydride
CID 173025447
ethoxymethanedithioic acid;2-sulfanylpropanoic acid
CID 158327861
ethoxymethanedithioic acid;hexadecane;zinc
CID 87550227
CID 87972145
CID 87972145
O-ethyl N-ethylcarbamothioate;silver
CID 166748918
ethoxymethanedithioic acid;8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 87182344

Frequently Asked Questions

What is the IUPAC name of CID 162340121?
The IUPAC name of CID 162340121 (CID 162340121) is not available.
What is the SMILES notation for CID 162340121?
The canonical SMILES for CID 162340121 is CCOC(=S)S.O.[K].
What is the InChIKey of CID 162340121?
The InChIKey is JEKOUUUBXCXNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS2.K.H2O/c1-2-4-3(5)6;;/h2H2,1H3,(H,5,6);;1H2.
What are the key properties of CID 162340121?
CID 162340121 has a molecular weight of 179.33 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162340121 is sourced from PubChem (CID 162340121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).