(1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite

C12H25FO3S3 — CID 154004790

IUPAC(1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite
SMILESCCCOC(CC(OC)(OCC)SF)(SC)SCC
InChIInChI=1S/C12H25FO3S3/c1-6-9-16-12(17-5,18-8-3)10-11(14-4,19-13)15-7-2/h6-10H2,1-5H3
InChIKeyQRHHSZWQHJUGCN-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.53
Rot. Bonds12

About (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite

(1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite (PubChem CID 154004790) has the molecular formula C12H25FO3S3 and a molecular weight of 332.53 g/mol. Its IUPAC name is (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite.

Molecular Properties

Compound Name(1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite
PubChem CID154004790
Molecular FormulaC12H25FO3S3
Molecular Weight332.53 g/mol
Exact Mass332.09
IUPAC Name(1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite
SMILESCCCOC(CC(OC)(OCC)SF)(SC)SCC
InChIInChI=1S/C12H25FO3S3/c1-6-9-16-12(17-5,18-8-3)10-11(14-4,19-13)15-7-2/h6-10H2,1-5H3
InChIKeyQRHHSZWQHJUGCN-UHFFFAOYSA-N
XLogP4.53
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1S)-1-methylsulfanylethyl]sulfanylethyl]-1,3-dioxane
CID 154991037
1,1-Diethoxy-3,3-bis(ethylsulfanyl)propane
CID 12402579

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite?
The IUPAC name of (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite (CID 154004790) is (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite.
What is the SMILES notation for (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite?
The canonical SMILES for (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite is CCCOC(CC(OC)(OCC)SF)(SC)SCC.
What is the InChIKey of (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite?
The InChIKey is QRHHSZWQHJUGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO3S3/c1-6-9-16-12(17-5,18-8-3)10-11(14-4,19-13)15-7-2/h6-10H2,1-5H3.
What are the key properties of (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite?
(1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite has a molecular weight of 332.53 g/mol, XLogP of 4.53, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-ethylsulfanyl-1-methoxy-3-methylsulfanyl-3-propoxypropyl) thiohypofluorite is sourced from PubChem (CID 154004790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).