ethane;1-methylsulfanylprop-1-ene

C10H26S — CID 91807645

IUPACethane;1-methylsulfanylprop-1-ene
SMILESCC.CC.CC.CC=CSC
InChIInChI=1S/C4H8S.3C2H6/c1-3-4-5-2;3*1-2/h3-4H,1-2H3;3*1-2H3
InChIKeyFWXMNLMWFBMBCN-UHFFFAOYSA-N
MW178.38 g/mol
LogP4.96
Rot. Bonds1

About ethane;1-methylsulfanylprop-1-ene

ethane;1-methylsulfanylprop-1-ene (PubChem CID 91807645) has the molecular formula C10H26S and a molecular weight of 178.38 g/mol. Its IUPAC name is ethane;1-methylsulfanylprop-1-ene.

Molecular Properties

Compound Nameethane;1-methylsulfanylprop-1-ene
PubChem CID91807645
Molecular FormulaC10H26S
Molecular Weight178.38 g/mol
Exact Mass178.18
IUPAC Nameethane;1-methylsulfanylprop-1-ene
SMILESCC.CC.CC.CC=CSC
InChIInChI=1S/C4H8S.3C2H6/c1-3-4-5-2;3*1-2/h3-4H,1-2H3;3*1-2H3
InChIKeyFWXMNLMWFBMBCN-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylsulfanylprop-1-ene?
The IUPAC name of ethane;1-methylsulfanylprop-1-ene (CID 91807645) is ethane;1-methylsulfanylprop-1-ene.
What is the SMILES notation for ethane;1-methylsulfanylprop-1-ene?
The canonical SMILES for ethane;1-methylsulfanylprop-1-ene is CC.CC.CC.CC=CSC.
What is the InChIKey of ethane;1-methylsulfanylprop-1-ene?
The InChIKey is FWXMNLMWFBMBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S.3C2H6/c1-3-4-5-2;3*1-2/h3-4H,1-2H3;3*1-2H3.
What are the key properties of ethane;1-methylsulfanylprop-1-ene?
ethane;1-methylsulfanylprop-1-ene has a molecular weight of 178.38 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylsulfanylprop-1-ene is sourced from PubChem (CID 91807645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).