2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol

C11H15NOS2 — CID 84630120

IUPAC2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
SMILESCSc1ccc2c(c1)SCC(CCO)N2
InChIInChI=1S/C11H15NOS2/c1-14-9-2-3-10-11(6-9)15-7-8(12-10)4-5-13/h2-3,6,8,12-13H,4-5,7H2,1H3
InChIKeyLLQSFTOZIGKSEE-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.68
Rot. Bonds3

About 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol

2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol (PubChem CID 84630120) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
PubChem CID84630120
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol
SMILESCSc1ccc2c(c1)SCC(CCO)N2
InChIInChI=1S/C11H15NOS2/c1-14-9-2-3-10-11(6-9)15-7-8(12-10)4-5-13/h2-3,6,8,12-13H,4-5,7H2,1H3
InChIKeyLLQSFTOZIGKSEE-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol?
The IUPAC name of 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol (CID 84630120) is 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol.
What is the SMILES notation for 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol?
The canonical SMILES for 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol is CSc1ccc2c(c1)SCC(CCO)N2.
What is the InChIKey of 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol?
The InChIKey is LLQSFTOZIGKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-14-9-2-3-10-11(6-9)15-7-8(12-10)4-5-13/h2-3,6,8,12-13H,4-5,7H2,1H3.
What are the key properties of 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol?
2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol has a molecular weight of 241.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylsulfanyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)ethanol is sourced from PubChem (CID 84630120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).