2-(2,4,6-trimethylphenyl)thiomorpholine

C13H19NS — CID 82080150

IUPAC2-(2,4,6-trimethylphenyl)thiomorpholine
SMILESCc1cc(C)c(C2CNCCS2)c(C)c1
InChIInChI=1S/C13H19NS/c1-9-6-10(2)13(11(3)7-9)12-8-14-4-5-15-12/h6-7,12,14H,4-5,8H2,1-3H3
InChIKeyQAXIGVSRIHBMJX-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.99
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)thiomorpholine

2-(2,4,6-trimethylphenyl)thiomorpholine (PubChem CID 82080150) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)thiomorpholine.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)thiomorpholine
PubChem CID82080150
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name2-(2,4,6-trimethylphenyl)thiomorpholine
SMILESCc1cc(C)c(C2CNCCS2)c(C)c1
InChIInChI=1S/C13H19NS/c1-9-6-10(2)13(11(3)7-9)12-8-14-4-5-15-12/h6-7,12,14H,4-5,8H2,1-3H3
InChIKeyQAXIGVSRIHBMJX-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)thiomorpholine?
The IUPAC name of 2-(2,4,6-trimethylphenyl)thiomorpholine (CID 82080150) is 2-(2,4,6-trimethylphenyl)thiomorpholine.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)thiomorpholine?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)thiomorpholine is Cc1cc(C)c(C2CNCCS2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)thiomorpholine?
The InChIKey is QAXIGVSRIHBMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-9-6-10(2)13(11(3)7-9)12-8-14-4-5-15-12/h6-7,12,14H,4-5,8H2,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)thiomorpholine?
2-(2,4,6-trimethylphenyl)thiomorpholine has a molecular weight of 221.37 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)thiomorpholine is sourced from PubChem (CID 82080150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).