1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol

C8H18O3S2 — CID 88993519

IUPAC1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol
SMILESCCOC(S)SC(C)C(O)OCC
InChIInChI=1S/C8H18O3S2/c1-4-10-7(9)6(3)13-8(12)11-5-2/h6-9,12H,4-5H2,1-3H3
InChIKeyDEQNCKYDADLGOF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.71
Rot. Bonds7

About 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol

1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol (PubChem CID 88993519) has the molecular formula C8H18O3S2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol
PubChem CID88993519
Molecular FormulaC8H18O3S2
Molecular Weight226.36 g/mol
Exact Mass226.07
IUPAC Name1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol
SMILESCCOC(S)SC(C)C(O)OCC
InChIInChI=1S/C8H18O3S2/c1-4-10-7(9)6(3)13-8(12)11-5-2/h6-9,12H,4-5H2,1-3H3
InChIKeyDEQNCKYDADLGOF-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethoxy-2-methylpropane-1,3-diol
CID 162410705
2,2-dibromo-1-ethoxyethanol
CID 18421052
CID 159597367
CID 159597367
1,1-diethoxypropane-2-thiol
CID 23462764
strontium;1-ethoxyethanol;hydride
CID 174472576
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
CID 89316162
(3R,4R)-4-ethoxy-5-methylhexan-3-ol
CID 59039577
(2R,3R)-3-[(2S,3R)-3-sulfanylbutan-2-yl]sulfanylbutan-2-ol
CID 51411795
1-ethoxyethanol;N-methylmethanamine
CID 18941772
ethanamine;1-ethoxyethanol
CID 20501270
ethyl 3-ethoxy-2-[ethoxy(hydroxy)methyl]-3-hydroxypropanoate
CID 118281719
(2S)-2-amino-1-ethoxy-4-methylsulfanylbutan-1-ol
CID 163198901

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol?
The IUPAC name of 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol (CID 88993519) is 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol.
What is the SMILES notation for 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol?
The canonical SMILES for 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol is CCOC(S)SC(C)C(O)OCC.
What is the InChIKey of 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol?
The InChIKey is DEQNCKYDADLGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S2/c1-4-10-7(9)6(3)13-8(12)11-5-2/h6-9,12H,4-5H2,1-3H3.
What are the key properties of 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol?
1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-[ethoxy(sulfanyl)methyl]sulfanylpropan-1-ol is sourced from PubChem (CID 88993519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).