2-cyclohexyl-3H-1,2-benzothiazole 1-oxide

C13H17NOS — CID 70508891

IUPAC2-cyclohexyl-3H-1,2-benzothiazole 1-oxide
SMILESO=S1c2ccccc2CN1C1CCCCC1
InChIInChI=1S/C13H17NOS/c15-16-13-9-5-4-6-11(13)10-14(16)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2
InChIKeyRDFIAXHZIHLIMG-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.86
Rot. Bonds1

About 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide

2-cyclohexyl-3H-1,2-benzothiazole 1-oxide (PubChem CID 70508891) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide.

Molecular Properties

Compound Name2-cyclohexyl-3H-1,2-benzothiazole 1-oxide
PubChem CID70508891
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-cyclohexyl-3H-1,2-benzothiazole 1-oxide
SMILESO=S1c2ccccc2CN1C1CCCCC1
InChIInChI=1S/C13H17NOS/c15-16-13-9-5-4-6-11(13)10-14(16)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2
InChIKeyRDFIAXHZIHLIMG-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide?
The IUPAC name of 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide (CID 70508891) is 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide.
What is the SMILES notation for 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide?
The canonical SMILES for 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide is O=S1c2ccccc2CN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide?
The InChIKey is RDFIAXHZIHLIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c15-16-13-9-5-4-6-11(13)10-14(16)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2.
What are the key properties of 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide?
2-cyclohexyl-3H-1,2-benzothiazole 1-oxide has a molecular weight of 235.35 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3H-1,2-benzothiazole 1-oxide is sourced from PubChem (CID 70508891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).