2-ethylsulfanyl-2,4,4-trimethylpentane

C10H22S — CID 6420693

IUPAC2-ethylsulfanyl-2,4,4-trimethylpentane
SMILESCCSC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H22S/c1-7-11-10(5,6)8-9(2,3)4/h7-8H2,1-6H3
InChIKeyVNHASZNZYBFURC-UHFFFAOYSA-N
MW174.35 g/mol
LogP3.95
Rot. Bonds3

About 2-ethylsulfanyl-2,4,4-trimethylpentane

2-ethylsulfanyl-2,4,4-trimethylpentane (PubChem CID 6420693) has the molecular formula C10H22S and a molecular weight of 174.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-2,4,4-trimethylpentane.

Molecular Properties

Compound Name2-ethylsulfanyl-2,4,4-trimethylpentane
PubChem CID6420693
Molecular FormulaC10H22S
Molecular Weight174.35 g/mol
Exact Mass174.14
IUPAC Name2-ethylsulfanyl-2,4,4-trimethylpentane
SMILESCCSC(C)(C)CC(C)(C)C
InChIInChI=1S/C10H22S/c1-7-11-10(5,6)8-9(2,3)4/h7-8H2,1-6H3
InChIKeyVNHASZNZYBFURC-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-2,4,4-trimethylpentane?
The IUPAC name of 2-ethylsulfanyl-2,4,4-trimethylpentane (CID 6420693) is 2-ethylsulfanyl-2,4,4-trimethylpentane.
What is the SMILES notation for 2-ethylsulfanyl-2,4,4-trimethylpentane?
The canonical SMILES for 2-ethylsulfanyl-2,4,4-trimethylpentane is CCSC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-ethylsulfanyl-2,4,4-trimethylpentane?
The InChIKey is VNHASZNZYBFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S/c1-7-11-10(5,6)8-9(2,3)4/h7-8H2,1-6H3.
What are the key properties of 2-ethylsulfanyl-2,4,4-trimethylpentane?
2-ethylsulfanyl-2,4,4-trimethylpentane has a molecular weight of 174.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-2,4,4-trimethylpentane is sourced from PubChem (CID 6420693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).