3-(azetidin-3-ylsulfanylmethyl)phenol

C10H13NOS — CID 115070189

IUPAC3-(azetidin-3-ylsulfanylmethyl)phenol
SMILESOc1cccc(CSC2CNC2)c1
InChIInChI=1S/C10H13NOS/c12-9-3-1-2-8(4-9)7-13-10-5-11-6-10/h1-4,10-12H,5-7H2
InChIKeyAQMYTMWLHDDIJP-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.60
Rot. Bonds3

About 3-(azetidin-3-ylsulfanylmethyl)phenol

3-(azetidin-3-ylsulfanylmethyl)phenol (PubChem CID 115070189) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-(azetidin-3-ylsulfanylmethyl)phenol.

Molecular Properties

Compound Name3-(azetidin-3-ylsulfanylmethyl)phenol
PubChem CID115070189
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-(azetidin-3-ylsulfanylmethyl)phenol
SMILESOc1cccc(CSC2CNC2)c1
InChIInChI=1S/C10H13NOS/c12-9-3-1-2-8(4-9)7-13-10-5-11-6-10/h1-4,10-12H,5-7H2
InChIKeyAQMYTMWLHDDIJP-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylsulfanylmethyl)phenol?
The IUPAC name of 3-(azetidin-3-ylsulfanylmethyl)phenol (CID 115070189) is 3-(azetidin-3-ylsulfanylmethyl)phenol.
What is the SMILES notation for 3-(azetidin-3-ylsulfanylmethyl)phenol?
The canonical SMILES for 3-(azetidin-3-ylsulfanylmethyl)phenol is Oc1cccc(CSC2CNC2)c1.
What is the InChIKey of 3-(azetidin-3-ylsulfanylmethyl)phenol?
The InChIKey is AQMYTMWLHDDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-9-3-1-2-8(4-9)7-13-10-5-11-6-10/h1-4,10-12H,5-7H2.
What are the key properties of 3-(azetidin-3-ylsulfanylmethyl)phenol?
3-(azetidin-3-ylsulfanylmethyl)phenol has a molecular weight of 195.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylsulfanylmethyl)phenol is sourced from PubChem (CID 115070189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).