2-ethyl-1-iminothiolane 1-oxide

C6H13NOS — CID 58088370

IUPAC2-ethyl-1-iminothiolane 1-oxide
SMILES[H]N=S1(=O)CCCC1CC
InChIInChI=1S/C6H13NOS/c1-2-6-4-3-5-9(6,7)8/h6-7H,2-5H2,1H3
InChIKeyQARGQZMIFNMFHO-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.61
Rot. Bonds1

About 2-ethyl-1-iminothiolane 1-oxide

2-ethyl-1-iminothiolane 1-oxide (PubChem CID 58088370) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-ethyl-1-iminothiolane 1-oxide.

Molecular Properties

Compound Name2-ethyl-1-iminothiolane 1-oxide
PubChem CID58088370
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-ethyl-1-iminothiolane 1-oxide
SMILES[H]N=S1(=O)CCCC1CC
InChIInChI=1S/C6H13NOS/c1-2-6-4-3-5-9(6,7)8/h6-7H,2-5H2,1H3
InChIKeyQARGQZMIFNMFHO-UHFFFAOYSA-N
XLogP1.61
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-iminothiolane 1-oxide?
The IUPAC name of 2-ethyl-1-iminothiolane 1-oxide (CID 58088370) is 2-ethyl-1-iminothiolane 1-oxide.
What is the SMILES notation for 2-ethyl-1-iminothiolane 1-oxide?
The canonical SMILES for 2-ethyl-1-iminothiolane 1-oxide is [H]N=S1(=O)CCCC1CC.
What is the InChIKey of 2-ethyl-1-iminothiolane 1-oxide?
The InChIKey is QARGQZMIFNMFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-6-4-3-5-9(6,7)8/h6-7H,2-5H2,1H3.
What are the key properties of 2-ethyl-1-iminothiolane 1-oxide?
2-ethyl-1-iminothiolane 1-oxide has a molecular weight of 147.24 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-iminothiolane 1-oxide is sourced from PubChem (CID 58088370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).