ethanethiol;morpholine

C6H15NOS — CID 18958641

IUPACethanethiol;morpholine
SMILESC1COCCN1.CCS
InChIInChI=1S/C4H9NO.C2H6S/c1-3-6-4-2-5-1;1-2-3/h5H,1-4H2;3H,2H2,1H3
InChIKeyPQEZGVYUYNQRAI-UHFFFAOYSA-N
MW149.26 g/mol
LogP0.54
Rot. Bonds

About ethanethiol;morpholine

ethanethiol;morpholine (PubChem CID 18958641) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is ethanethiol;morpholine.

Molecular Properties

Compound Nameethanethiol;morpholine
PubChem CID18958641
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Nameethanethiol;morpholine
SMILESC1COCCN1.CCS
InChIInChI=1S/C4H9NO.C2H6S/c1-3-6-4-2-5-1;1-2-3/h5H,1-4H2;3H,2H2,1H3
InChIKeyPQEZGVYUYNQRAI-UHFFFAOYSA-N
XLogP0.54
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanethiol;morpholine?
The IUPAC name of ethanethiol;morpholine (CID 18958641) is ethanethiol;morpholine.
What is the SMILES notation for ethanethiol;morpholine?
The canonical SMILES for ethanethiol;morpholine is C1COCCN1.CCS.
What is the InChIKey of ethanethiol;morpholine?
The InChIKey is PQEZGVYUYNQRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C2H6S/c1-3-6-4-2-5-1;1-2-3/h5H,1-4H2;3H,2H2,1H3.
What are the key properties of ethanethiol;morpholine?
ethanethiol;morpholine has a molecular weight of 149.26 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiol;morpholine is sourced from PubChem (CID 18958641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).