2-phenylthiomorpholine

C10H13NS — CID 5004199

IUPAC2-phenylthiomorpholine
SMILESc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C10H13NS/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2
InChIKeySRYHBJDVLOEJNP-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.06
Rot. Bonds1

About 2-phenylthiomorpholine

2-phenylthiomorpholine (PubChem CID 5004199) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-phenylthiomorpholine.

Molecular Properties

Compound Name2-phenylthiomorpholine
PubChem CID5004199
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-phenylthiomorpholine
SMILESc1ccc(C2CNCCS2)cc1
InChIInChI=1S/C10H13NS/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2
InChIKeySRYHBJDVLOEJNP-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylthiomorpholine?
The IUPAC name of 2-phenylthiomorpholine (CID 5004199) is 2-phenylthiomorpholine.
What is the SMILES notation for 2-phenylthiomorpholine?
The canonical SMILES for 2-phenylthiomorpholine is c1ccc(C2CNCCS2)cc1.
What is the InChIKey of 2-phenylthiomorpholine?
The InChIKey is SRYHBJDVLOEJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2.
What are the key properties of 2-phenylthiomorpholine?
2-phenylthiomorpholine has a molecular weight of 179.29 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylthiomorpholine is sourced from PubChem (CID 5004199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).