phenyl(thiomorpholin-4-yl)methanethione

C11H13NS2 — CID 2732568

IUPACphenyl(thiomorpholin-4-yl)methanethione
SMILESS=C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C11H13NS2/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-5H,6-9H2
InChIKeyJBQQWTHQZPHGRR-UHFFFAOYSA-N
MW223.37 g/mol
LogP2.41
Rot. Bonds1

About phenyl(thiomorpholin-4-yl)methanethione

phenyl(thiomorpholin-4-yl)methanethione (PubChem CID 2732568) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is phenyl(thiomorpholin-4-yl)methanethione.

Molecular Properties

Compound Namephenyl(thiomorpholin-4-yl)methanethione
PubChem CID2732568
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Namephenyl(thiomorpholin-4-yl)methanethione
SMILESS=C(c1ccccc1)N1CCSCC1
InChIInChI=1S/C11H13NS2/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-5H,6-9H2
InChIKeyJBQQWTHQZPHGRR-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 52.41
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 phenyl(thiomorpholin-4-yl)methanethione?
The IUPAC name of phenyl(thiomorpholin-4-yl)methanethione (CID 2732568) is phenyl(thiomorpholin-4-yl)methanethione.
What is the SMILES notation for phenyl(thiomorpholin-4-yl)methanethione?
The canonical SMILES for phenyl(thiomorpholin-4-yl)methanethione is S=C(c1ccccc1)N1CCSCC1.
What is the InChIKey of phenyl(thiomorpholin-4-yl)methanethione?
The InChIKey is JBQQWTHQZPHGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS2/c13-11(10-4-2-1-3-5-10)12-6-8-14-9-7-12/h1-5H,6-9H2.
What are the key properties of phenyl(thiomorpholin-4-yl)methanethione?
phenyl(thiomorpholin-4-yl)methanethione has a molecular weight of 223.37 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(thiomorpholin-4-yl)methanethione is sourced from PubChem (CID 2732568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).