3-thiophen-2-ylthiomorpholine

C8H11NS2 — CID 60727914

IUPAC3-thiophen-2-ylthiomorpholine
SMILESc1csc(C2CSCCN2)c1
InChIInChI=1S/C8H11NS2/c1-2-8(11-4-1)7-6-10-5-3-9-7/h1-2,4,7,9H,3,5-6H2
InChIKeyVLALEQCRKOSSHW-UHFFFAOYSA-N
MW185.32 g/mol
LogP2.13
Rot. Bonds1

About 3-thiophen-2-ylthiomorpholine

3-thiophen-2-ylthiomorpholine (PubChem CID 60727914) has the molecular formula C8H11NS2 and a molecular weight of 185.32 g/mol. Its IUPAC name is 3-thiophen-2-ylthiomorpholine.

Molecular Properties

Compound Name3-thiophen-2-ylthiomorpholine
PubChem CID60727914
Molecular FormulaC8H11NS2
Molecular Weight185.32 g/mol
Exact Mass185.03
IUPAC Name3-thiophen-2-ylthiomorpholine
SMILESc1csc(C2CSCCN2)c1
InChIInChI=1S/C8H11NS2/c1-2-8(11-4-1)7-6-10-5-3-9-7/h1-2,4,7,9H,3,5-6H2
InChIKeyVLALEQCRKOSSHW-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylthiomorpholine?
The IUPAC name of 3-thiophen-2-ylthiomorpholine (CID 60727914) is 3-thiophen-2-ylthiomorpholine.
What is the SMILES notation for 3-thiophen-2-ylthiomorpholine?
The canonical SMILES for 3-thiophen-2-ylthiomorpholine is c1csc(C2CSCCN2)c1.
What is the InChIKey of 3-thiophen-2-ylthiomorpholine?
The InChIKey is VLALEQCRKOSSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS2/c1-2-8(11-4-1)7-6-10-5-3-9-7/h1-2,4,7,9H,3,5-6H2.
What are the key properties of 3-thiophen-2-ylthiomorpholine?
3-thiophen-2-ylthiomorpholine has a molecular weight of 185.32 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylthiomorpholine is sourced from PubChem (CID 60727914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).