3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine

C15H15NS2 — CID 24905663

IUPAC3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESCSc1ccc(C2CSc3ccccc3N2)cc1
InChIInChI=1S/C15H15NS2/c1-17-12-8-6-11(7-9-12)14-10-18-15-5-3-2-4-13(15)16-14/h2-9,14,16H,10H2,1H3
InChIKeyCKYBUZPMONPXMA-UHFFFAOYSA-N
MW273.43 g/mol
LogP4.67
Rot. Bonds2

About 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine

3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 24905663) has the molecular formula C15H15NS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID24905663
Molecular FormulaC15H15NS2
Molecular Weight273.43 g/mol
Exact Mass273.06
IUPAC Name3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine
SMILESCSc1ccc(C2CSc3ccccc3N2)cc1
InChIInChI=1S/C15H15NS2/c1-17-12-8-6-11(7-9-12)14-10-18-15-5-3-2-4-13(15)16-14/h2-9,14,16H,10H2,1H3
InChIKeyCKYBUZPMONPXMA-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine (CID 24905663) is 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine is CSc1ccc(C2CSc3ccccc3N2)cc1.
What is the InChIKey of 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is CKYBUZPMONPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS2/c1-17-12-8-6-11(7-9-12)14-10-18-15-5-3-2-4-13(15)16-14/h2-9,14,16H,10H2,1H3.
What are the key properties of 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine?
3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 273.43 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfanylphenyl)-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 24905663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).