ethylsulfanylethane;propane

C10H26S — CID 159168091

IUPACethylsulfanylethane;propane
SMILESCCC.CCC.CCSCC
InChIInChI=1S/C4H10S.2C3H8/c1-3-5-4-2;2*1-3-2/h3-4H2,1-2H3;2*3H2,1-2H3
InChIKeyKLIFDABUWMHRHE-UHFFFAOYSA-N
MW178.38 g/mol
LogP4.59
Rot. Bonds2

About ethylsulfanylethane;propane

ethylsulfanylethane;propane (PubChem CID 159168091) has the molecular formula C10H26S and a molecular weight of 178.38 g/mol. Its IUPAC name is ethylsulfanylethane;propane.

Molecular Properties

Compound Nameethylsulfanylethane;propane
PubChem CID159168091
Molecular FormulaC10H26S
Molecular Weight178.38 g/mol
Exact Mass178.18
IUPAC Nameethylsulfanylethane;propane
SMILESCCC.CCC.CCSCC
InChIInChI=1S/C4H10S.2C3H8/c1-3-5-4-2;2*1-3-2/h3-4H2,1-2H3;2*3H2,1-2H3
InChIKeyKLIFDABUWMHRHE-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Propyl sulfide
CID 8118
Dibutyl sulfide
CID 11002
Ethyl propyl sulfide
CID 20063
Diamyl sulfide
CID 13382
Diisopropyl sulfide
CID 12264
Butyl ethyl sulfide
CID 12528
Dihexyl thioether
CID 80517
Ethyl isopropyl sulphide
CID 21228
Propane, 2,2'-thiobis(2-methyl-
CID 7872
Isobutyl Sulfide
CID 11608
3,8-Dithiadecane
CID 294545
4,7-Dithiadecane
CID 294546

Frequently Asked Questions

What is the IUPAC name of ethylsulfanylethane;propane?
The IUPAC name of ethylsulfanylethane;propane (CID 159168091) is ethylsulfanylethane;propane.
What is the SMILES notation for ethylsulfanylethane;propane?
The canonical SMILES for ethylsulfanylethane;propane is CCC.CCC.CCSCC.
What is the InChIKey of ethylsulfanylethane;propane?
The InChIKey is KLIFDABUWMHRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.2C3H8/c1-3-5-4-2;2*1-3-2/h3-4H2,1-2H3;2*3H2,1-2H3.
What are the key properties of ethylsulfanylethane;propane?
ethylsulfanylethane;propane has a molecular weight of 178.38 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylethane;propane is sourced from PubChem (CID 159168091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).