1-ethyl-1,3-dimethylthiane

C9H20S — CID 143395307

IUPAC1-ethyl-1,3-dimethylthiane
SMILESCCS1(C)CCCC(C)C1
InChIInChI=1S/C9H20S/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3
InChIKeyHREXKEPLVGDAJF-UHFFFAOYSA-N
MW160.33 g/mol
LogP2.87
Rot. Bonds1

About 1-ethyl-1,3-dimethylthiane

1-ethyl-1,3-dimethylthiane (PubChem CID 143395307) has the molecular formula C9H20S and a molecular weight of 160.33 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethylthiane.

Molecular Properties

Compound Name1-ethyl-1,3-dimethylthiane
PubChem CID143395307
Molecular FormulaC9H20S
Molecular Weight160.33 g/mol
Exact Mass160.13
IUPAC Name1-ethyl-1,3-dimethylthiane
SMILESCCS1(C)CCCC(C)C1
InChIInChI=1S/C9H20S/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3
InChIKeyHREXKEPLVGDAJF-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;methylcyclopentane
CID 142053859
ethane;methylcyclopentane;propane
CID 142080084
1-cyclohexyl-1,3-dimethylthiolane
CID 123388840
methane;methylcyclohexane;propane
CID 143031585
ethene;methylcyclopentane;propane
CID 143370211
methylcyclopentane
CID 7296
cyclooctane;methylcyclobutane
CID 159456217
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
cyclobutane;cyclopropane;methylcyclobutane
CID 157419563
butane;methanamine;methylcyclopentane
CID 142104572
ethoxyethane;methylcyclopentane
CID 158455613
ethane;methanethiol;bis(methylcyclopentane);propane
CID 162283921

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-dimethylthiane?
The IUPAC name of 1-ethyl-1,3-dimethylthiane (CID 143395307) is 1-ethyl-1,3-dimethylthiane.
What is the SMILES notation for 1-ethyl-1,3-dimethylthiane?
The canonical SMILES for 1-ethyl-1,3-dimethylthiane is CCS1(C)CCCC(C)C1.
What is the InChIKey of 1-ethyl-1,3-dimethylthiane?
The InChIKey is HREXKEPLVGDAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-1,3-dimethylthiane?
1-ethyl-1,3-dimethylthiane has a molecular weight of 160.33 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethylthiane is sourced from PubChem (CID 143395307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).