1,1-diethoxyethane;sulfane

C6H16O2S — CID 87563963

IUPAC1,1-diethoxyethane;sulfane
SMILESCCOC(C)OCC.S
InChIInChI=1S/C6H14O2.H2S/c1-4-7-6(3)8-5-2;/h6H,4-5H2,1-3H3;1H2
InChIKeyOWQURMGKBNMUKM-UHFFFAOYSA-N
MW152.26 g/mol
LogP1.52
Rot. Bonds4

About 1,1-diethoxyethane;sulfane

1,1-diethoxyethane;sulfane (PubChem CID 87563963) has the molecular formula C6H16O2S and a molecular weight of 152.26 g/mol. Its IUPAC name is 1,1-diethoxyethane;sulfane.

Molecular Properties

Compound Name1,1-diethoxyethane;sulfane
PubChem CID87563963
Molecular FormulaC6H16O2S
Molecular Weight152.26 g/mol
Exact Mass152.09
IUPAC Name1,1-diethoxyethane;sulfane
SMILESCCOC(C)OCC.S
InChIInChI=1S/C6H14O2.H2S/c1-4-7-6(3)8-5-2;/h6H,4-5H2,1-3H3;1H2
InChIKeyOWQURMGKBNMUKM-UHFFFAOYSA-N
XLogP1.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;stannane
CID 87529398
1-ethoxy-1-[1-(1-ethoxyethoxymethoxy)ethoxymethoxy]ethane
CID 161169297
1,1-diethoxyethane;N-methylmethanamine
CID 90073696
cyclopropane;1,1-diethoxyethane
CID 67020569
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
carbonic acid;1,1-diethoxyethane
CID 87827362
1,1-diethoxyethane;1,3,5-trimethylbenzene
CID 66684886
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
1,1-diethoxyethane;2-methylpropanedial
CID 88830026
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
1,1-diethoxyethane;methane;propane-1,2,3-triol
CID 90107522

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;sulfane?
The IUPAC name of 1,1-diethoxyethane;sulfane (CID 87563963) is 1,1-diethoxyethane;sulfane.
What is the SMILES notation for 1,1-diethoxyethane;sulfane?
The canonical SMILES for 1,1-diethoxyethane;sulfane is CCOC(C)OCC.S.
What is the InChIKey of 1,1-diethoxyethane;sulfane?
The InChIKey is OWQURMGKBNMUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.H2S/c1-4-7-6(3)8-5-2;/h6H,4-5H2,1-3H3;1H2.
What are the key properties of 1,1-diethoxyethane;sulfane?
1,1-diethoxyethane;sulfane has a molecular weight of 152.26 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;sulfane is sourced from PubChem (CID 87563963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).