4-(1,3-thiazol-2-yldisulfanyl)morpholine

C7H10N2OS3 — CID 88763224

IUPAC4-(1,3-thiazol-2-yldisulfanyl)morpholine
SMILESc1csc(SSN2CCOCC2)n1
InChIInChI=1S/C7H10N2OS3/c1-6-11-7(8-1)12-13-9-2-4-10-5-3-9/h1,6H,2-5H2
InChIKeyNOUUUAGGEZOPGY-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.13
Rot. Bonds3

About 4-(1,3-thiazol-2-yldisulfanyl)morpholine

4-(1,3-thiazol-2-yldisulfanyl)morpholine (PubChem CID 88763224) has the molecular formula C7H10N2OS3 and a molecular weight of 234.37 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yldisulfanyl)morpholine.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yldisulfanyl)morpholine
PubChem CID88763224
Molecular FormulaC7H10N2OS3
Molecular Weight234.37 g/mol
Exact Mass234.00
IUPAC Name4-(1,3-thiazol-2-yldisulfanyl)morpholine
SMILESc1csc(SSN2CCOCC2)n1
InChIInChI=1S/C7H10N2OS3/c1-6-11-7(8-1)12-13-9-2-4-10-5-3-9/h1,6H,2-5H2
InChIKeyNOUUUAGGEZOPGY-UHFFFAOYSA-N
XLogP2.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yldisulfanyl)morpholine?
The IUPAC name of 4-(1,3-thiazol-2-yldisulfanyl)morpholine (CID 88763224) is 4-(1,3-thiazol-2-yldisulfanyl)morpholine.
What is the SMILES notation for 4-(1,3-thiazol-2-yldisulfanyl)morpholine?
The canonical SMILES for 4-(1,3-thiazol-2-yldisulfanyl)morpholine is c1csc(SSN2CCOCC2)n1.
What is the InChIKey of 4-(1,3-thiazol-2-yldisulfanyl)morpholine?
The InChIKey is NOUUUAGGEZOPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS3/c1-6-11-7(8-1)12-13-9-2-4-10-5-3-9/h1,6H,2-5H2.
What are the key properties of 4-(1,3-thiazol-2-yldisulfanyl)morpholine?
4-(1,3-thiazol-2-yldisulfanyl)morpholine has a molecular weight of 234.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yldisulfanyl)morpholine is sourced from PubChem (CID 88763224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).