1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol

C6H14O3S — CID 154212707

IUPAC1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol
SMILESCCOC(O)(CCS)OC
InChIInChI=1S/C6H14O3S/c1-3-9-6(7,8-2)4-5-10/h7,10H,3-5H2,1-2H3
InChIKeyPOILRUNUNDVCAY-UHFFFAOYSA-N
MW166.24 g/mol
LogP0.64
Rot. Bonds5

About 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol

1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol (PubChem CID 154212707) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol.

Molecular Properties

Compound Name1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol
PubChem CID154212707
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Name1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol
SMILESCCOC(O)(CCS)OC
InChIInChI=1S/C6H14O3S/c1-3-9-6(7,8-2)4-5-10/h7,10H,3-5H2,1-2H3
InChIKeyPOILRUNUNDVCAY-UHFFFAOYSA-N
XLogP0.64
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.64
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'}

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Related Compounds

1,1-dimethoxypropan-1-ol;methane
CID 157160152
2,2,5,5-tetraethoxyhexane
CID 42611383
3,3-diethoxy-6-sulfanylhexan-1-ol
CID 91147658
2-ethoxytetradecan-2-ol
CID 154401470
1-ethoxypentane-1,1,4,4-tetrol
CID 91379347
2-ethoxy-1-methoxypropan-2-ol
CID 148549797
2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol
CID 170039008
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
(1S)-1-methoxy-1-sulfanylpropan-1-ol
CID 124639620
1,1,2-trimethoxy-1-silyl-5-sulfanylpentan-2-ol
CID 174760272
1-chloro-1-ethoxy-1-methoxyethane
CID 87908688
1,3-diamino-2-ethoxypropan-2-ol
CID 174780599

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol?
The IUPAC name of 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol (CID 154212707) is 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol.
What is the SMILES notation for 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol?
The canonical SMILES for 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol is CCOC(O)(CCS)OC.
What is the InChIKey of 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol?
The InChIKey is POILRUNUNDVCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-3-9-6(7,8-2)4-5-10/h7,10H,3-5H2,1-2H3.
What are the key properties of 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol?
1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol has a molecular weight of 166.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methoxy-3-sulfanylpropan-1-ol is sourced from PubChem (CID 154212707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).