(4-methylphenyl)-morpholin-4-ylmethanethione

C12H15NOS — CID 875790

IUPAC(4-methylphenyl)-morpholin-4-ylmethanethione
SMILESCc1ccc(C(=S)N2CCOCC2)cc1
InChIInChI=1S/C12H15NOS/c1-10-2-4-11(5-3-10)12(15)13-6-8-14-9-7-13/h2-5H,6-9H2,1H3
InChIKeyCSDQNGYAOFDELC-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.00
Rot. Bonds1

About (4-methylphenyl)-morpholin-4-ylmethanethione

(4-methylphenyl)-morpholin-4-ylmethanethione (PubChem CID 875790) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (4-methylphenyl)-morpholin-4-ylmethanethione.

Molecular Properties

Compound Name(4-methylphenyl)-morpholin-4-ylmethanethione
PubChem CID875790
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(4-methylphenyl)-morpholin-4-ylmethanethione
SMILESCc1ccc(C(=S)N2CCOCC2)cc1
InChIInChI=1S/C12H15NOS/c1-10-2-4-11(5-3-10)12(15)13-6-8-14-9-7-13/h2-5H,6-9H2,1H3
InChIKeyCSDQNGYAOFDELC-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-morpholin-4-ylmethanethione?
The IUPAC name of (4-methylphenyl)-morpholin-4-ylmethanethione (CID 875790) is (4-methylphenyl)-morpholin-4-ylmethanethione.
What is the SMILES notation for (4-methylphenyl)-morpholin-4-ylmethanethione?
The canonical SMILES for (4-methylphenyl)-morpholin-4-ylmethanethione is Cc1ccc(C(=S)N2CCOCC2)cc1.
What is the InChIKey of (4-methylphenyl)-morpholin-4-ylmethanethione?
The InChIKey is CSDQNGYAOFDELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-10-2-4-11(5-3-10)12(15)13-6-8-14-9-7-13/h2-5H,6-9H2,1H3.
What are the key properties of (4-methylphenyl)-morpholin-4-ylmethanethione?
(4-methylphenyl)-morpholin-4-ylmethanethione has a molecular weight of 221.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-morpholin-4-ylmethanethione is sourced from PubChem (CID 875790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).