3-ethyl-4-ethylsulfanyloxane

C9H18OS — CID 54391009

IUPAC3-ethyl-4-ethylsulfanyloxane
SMILESCCSC1CCOCC1CC
InChIInChI=1S/C9H18OS/c1-3-8-7-10-6-5-9(8)11-4-2/h8-9H,3-7H2,1-2H3
InChIKeyWWRBUJHMXPGCPQ-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.55
Rot. Bonds3

About 3-ethyl-4-ethylsulfanyloxane

3-ethyl-4-ethylsulfanyloxane (PubChem CID 54391009) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 3-ethyl-4-ethylsulfanyloxane.

Molecular Properties

Compound Name3-ethyl-4-ethylsulfanyloxane
PubChem CID54391009
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name3-ethyl-4-ethylsulfanyloxane
SMILESCCSC1CCOCC1CC
InChIInChI=1S/C9H18OS/c1-3-8-7-10-6-5-9(8)11-4-2/h8-9H,3-7H2,1-2H3
InChIKeyWWRBUJHMXPGCPQ-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-2-Methyl-4-propyl-1,3-oxathiane
CID 101010
2-Methyl-4-propyl-1,3-oxathiane, trans-
CID 6931726
2-Pentyl-4-propyl-1,3-oxathiane
CID 20514321
(2R,4S)-2-methyl-4-propyl-1,3-oxathiane
CID 6931725
1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-
CID 6931728
trans-2-Methyl-4-n-propyl-1,3-oxathiane
CID 6931727
(3S,6R)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
CID 54472325
(3S)-5-fluoro-2,3,4-trimethyl-6-methylsulfanyloxane
CID 54472326
3-(4-Methylthian-4-yl)propyl hypofluorite
CID 172289558
2-Heptan-3-yl-1,3-oxathiolane
CID 306084
2,2-Dimethyl-4-propyl-1,3-oxathiane
CID 560097
5-(3-Methylbutyl)-2-propyl-1,3-oxathiane
CID 12329615

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-ethylsulfanyloxane?
The IUPAC name of 3-ethyl-4-ethylsulfanyloxane (CID 54391009) is 3-ethyl-4-ethylsulfanyloxane.
What is the SMILES notation for 3-ethyl-4-ethylsulfanyloxane?
The canonical SMILES for 3-ethyl-4-ethylsulfanyloxane is CCSC1CCOCC1CC.
What is the InChIKey of 3-ethyl-4-ethylsulfanyloxane?
The InChIKey is WWRBUJHMXPGCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-3-8-7-10-6-5-9(8)11-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-4-ethylsulfanyloxane?
3-ethyl-4-ethylsulfanyloxane has a molecular weight of 174.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-ethylsulfanyloxane is sourced from PubChem (CID 54391009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).