2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol

C13H15NOS2 — CID 2942875

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol
SMILESOC1CCCCC1Sc1nc2ccccc2s1
InChIInChI=1S/C13H15NOS2/c15-10-6-2-4-8-12(10)17-13-14-9-5-1-3-7-11(9)16-13/h1,3,5,7,10,12,15H,2,4,6,8H2
InChIKeyIPCPHLYCAQONTG-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.69
Rot. Bonds2

About 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol

2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol (PubChem CID 2942875) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol
PubChem CID2942875
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol
SMILESOC1CCCCC1Sc1nc2ccccc2s1
InChIInChI=1S/C13H15NOS2/c15-10-6-2-4-8-12(10)17-13-14-9-5-1-3-7-11(9)16-13/h1,3,5,7,10,12,15H,2,4,6,8H2
InChIKeyIPCPHLYCAQONTG-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol (CID 2942875) is 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol is OC1CCCCC1Sc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol?
The InChIKey is IPCPHLYCAQONTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c15-10-6-2-4-8-12(10)17-13-14-9-5-1-3-7-11(9)16-13/h1,3,5,7,10,12,15H,2,4,6,8H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol?
2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)cyclohexan-1-ol is sourced from PubChem (CID 2942875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).