3-ethylsulfanyl-3-methylpentane

C8H18S — CID 6420610

IUPAC3-ethylsulfanyl-3-methylpentane
SMILESCCSC(C)(CC)CC
InChIInChI=1S/C8H18S/c1-5-8(4,6-2)9-7-3/h5-7H2,1-4H3
InChIKeyASLJOBYJIIACRJ-UHFFFAOYSA-N
MW146.30 g/mol
LogP3.32
Rot. Bonds4

About 3-ethylsulfanyl-3-methylpentane

3-ethylsulfanyl-3-methylpentane (PubChem CID 6420610) has the molecular formula C8H18S and a molecular weight of 146.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-3-methylpentane.

Molecular Properties

Compound Name3-ethylsulfanyl-3-methylpentane
PubChem CID6420610
Molecular FormulaC8H18S
Molecular Weight146.30 g/mol
Exact Mass146.11
IUPAC Name3-ethylsulfanyl-3-methylpentane
SMILESCCSC(C)(CC)CC
InChIInChI=1S/C8H18S/c1-5-8(4,6-2)9-7-3/h5-7H2,1-4H3
InChIKeyASLJOBYJIIACRJ-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-3-methylpentane?
The IUPAC name of 3-ethylsulfanyl-3-methylpentane (CID 6420610) is 3-ethylsulfanyl-3-methylpentane.
What is the SMILES notation for 3-ethylsulfanyl-3-methylpentane?
The canonical SMILES for 3-ethylsulfanyl-3-methylpentane is CCSC(C)(CC)CC.
What is the InChIKey of 3-ethylsulfanyl-3-methylpentane?
The InChIKey is ASLJOBYJIIACRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18S/c1-5-8(4,6-2)9-7-3/h5-7H2,1-4H3.
What are the key properties of 3-ethylsulfanyl-3-methylpentane?
3-ethylsulfanyl-3-methylpentane has a molecular weight of 146.30 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-3-methylpentane is sourced from PubChem (CID 6420610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).