2-methylsulfanylbenzene-1,3-diol

C7H8O2S — CID 68838462

IUPAC2-methylsulfanylbenzene-1,3-diol
SMILESCSc1c(O)cccc1O
InChIInChI=1S/C7H8O2S/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3
InChIKeyLSYIKCJLWYTZNL-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.82
Rot. Bonds1

About 2-methylsulfanylbenzene-1,3-diol

2-methylsulfanylbenzene-1,3-diol (PubChem CID 68838462) has the molecular formula C7H8O2S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-methylsulfanylbenzene-1,3-diol.

Molecular Properties

Compound Name2-methylsulfanylbenzene-1,3-diol
PubChem CID68838462
Molecular FormulaC7H8O2S
Molecular Weight156.21 g/mol
Exact Mass156.02
IUPAC Name2-methylsulfanylbenzene-1,3-diol
SMILESCSc1c(O)cccc1O
InChIInChI=1S/C7H8O2S/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3
InChIKeyLSYIKCJLWYTZNL-UHFFFAOYSA-N
XLogP1.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylbenzene-1,3-diol?
The IUPAC name of 2-methylsulfanylbenzene-1,3-diol (CID 68838462) is 2-methylsulfanylbenzene-1,3-diol.
What is the SMILES notation for 2-methylsulfanylbenzene-1,3-diol?
The canonical SMILES for 2-methylsulfanylbenzene-1,3-diol is CSc1c(O)cccc1O.
What is the InChIKey of 2-methylsulfanylbenzene-1,3-diol?
The InChIKey is LSYIKCJLWYTZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2S/c1-10-7-5(8)3-2-4-6(7)9/h2-4,8-9H,1H3.
What are the key properties of 2-methylsulfanylbenzene-1,3-diol?
2-methylsulfanylbenzene-1,3-diol has a molecular weight of 156.21 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylbenzene-1,3-diol is sourced from PubChem (CID 68838462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).