1-propan-2-yl-10H-phenothiazine

C15H15NS — CID 5257547

IUPAC1-propan-2-yl-10H-phenothiazine
SMILESCC(C)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C15H15NS/c1-10(2)11-6-5-9-14-15(11)16-12-7-3-4-8-13(12)17-14/h3-10,16H,1-2H3
InChIKeyGFQLUVZOBVGUCM-UHFFFAOYSA-N
MW241.36 g/mol
LogP5.02
Rot. Bonds1

About 1-propan-2-yl-10H-phenothiazine

1-propan-2-yl-10H-phenothiazine (PubChem CID 5257547) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-propan-2-yl-10H-phenothiazine.

Molecular Properties

Compound Name1-propan-2-yl-10H-phenothiazine
PubChem CID5257547
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name1-propan-2-yl-10H-phenothiazine
SMILESCC(C)c1cccc2c1Nc1ccccc1S2
InChIInChI=1S/C15H15NS/c1-10(2)11-6-5-9-14-15(11)16-12-7-3-4-8-13(12)17-14/h3-10,16H,1-2H3
InChIKeyGFQLUVZOBVGUCM-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-10H-phenothiazine?
The IUPAC name of 1-propan-2-yl-10H-phenothiazine (CID 5257547) is 1-propan-2-yl-10H-phenothiazine.
What is the SMILES notation for 1-propan-2-yl-10H-phenothiazine?
The canonical SMILES for 1-propan-2-yl-10H-phenothiazine is CC(C)c1cccc2c1Nc1ccccc1S2.
What is the InChIKey of 1-propan-2-yl-10H-phenothiazine?
The InChIKey is GFQLUVZOBVGUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-10(2)11-6-5-9-14-15(11)16-12-7-3-4-8-13(12)17-14/h3-10,16H,1-2H3.
What are the key properties of 1-propan-2-yl-10H-phenothiazine?
1-propan-2-yl-10H-phenothiazine has a molecular weight of 241.36 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-10H-phenothiazine is sourced from PubChem (CID 5257547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).