1-ethoxy-1-(1-sulfanylethoxy)ethanol

C6H14O3S — CID 139775425

IUPAC1-ethoxy-1-(1-sulfanylethoxy)ethanol
SMILESCCOC(C)(O)OC(C)S
InChIInChI=1S/C6H14O3S/c1-4-8-6(3,7)9-5(2)10/h5,7,10H,4H2,1-3H3
InChIKeyZLQPGHMLNMYQBZ-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.98
Rot. Bonds4

About 1-ethoxy-1-(1-sulfanylethoxy)ethanol

1-ethoxy-1-(1-sulfanylethoxy)ethanol (PubChem CID 139775425) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-ethoxy-1-(1-sulfanylethoxy)ethanol.

Molecular Properties

Compound Name1-ethoxy-1-(1-sulfanylethoxy)ethanol
PubChem CID139775425
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name1-ethoxy-1-(1-sulfanylethoxy)ethanol
SMILESCCOC(C)(O)OC(C)S
InChIInChI=1S/C6H14O3S/c1-4-8-6(3,7)9-5(2)10/h5,7,10H,4H2,1-3H3
InChIKeyZLQPGHMLNMYQBZ-UHFFFAOYSA-N
XLogP0.98
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-ethoxy-1-(1-sulfanylethoxy)ethanol 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

1-(1-butoxyethoxy)-1-ethoxyethanol
CID 174788322
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
alumane;2-(1-ethoxy-1-propan-2-yloxyethoxy)propane
CID 175344436
1,1-dichloro-2-ethoxypropan-2-ol
CID 141478859
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
1,1,1-triethoxypropan-2-ol
CID 87156976
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
ethoxyethane;2-methylpentane-2,4-diol
CID 19391902
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
1-amino-2-ethoxypropan-2-ol
CID 174792064

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-(1-sulfanylethoxy)ethanol?
The IUPAC name of 1-ethoxy-1-(1-sulfanylethoxy)ethanol (CID 139775425) is 1-ethoxy-1-(1-sulfanylethoxy)ethanol.
What is the SMILES notation for 1-ethoxy-1-(1-sulfanylethoxy)ethanol?
The canonical SMILES for 1-ethoxy-1-(1-sulfanylethoxy)ethanol is CCOC(C)(O)OC(C)S.
What is the InChIKey of 1-ethoxy-1-(1-sulfanylethoxy)ethanol?
The InChIKey is ZLQPGHMLNMYQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-4-8-6(3,7)9-5(2)10/h5,7,10H,4H2,1-3H3.
What are the key properties of 1-ethoxy-1-(1-sulfanylethoxy)ethanol?
1-ethoxy-1-(1-sulfanylethoxy)ethanol has a molecular weight of 166.24 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-(1-sulfanylethoxy)ethanol is sourced from PubChem (CID 139775425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).