dihydroxy-methyl-phenyl-λ4-sulfane

C7H10O2S — CID 58227647

IUPACdihydroxy-methyl-phenyl-λ4-sulfane
SMILESCS(O)(O)c1ccccc1
InChIInChI=1S/C7H10O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6,8-9H,1H3
InChIKeyAAOOKBLDYQKOQD-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.43
Rot. Bonds1

About dihydroxy-methyl-phenyl-λ4-sulfane

dihydroxy-methyl-phenyl-λ4-sulfane (PubChem CID 58227647) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is dihydroxy-methyl-phenyl-λ4-sulfane.

Molecular Properties

Compound Namedihydroxy-methyl-phenyl-λ4-sulfane
PubChem CID58227647
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Namedihydroxy-methyl-phenyl-λ4-sulfane
SMILESCS(O)(O)c1ccccc1
InChIInChI=1S/C7H10O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6,8-9H,1H3
InChIKeyAAOOKBLDYQKOQD-UHFFFAOYSA-N
XLogP2.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-methyl-phenyl-λ4-sulfane?
The IUPAC name of dihydroxy-methyl-phenyl-λ4-sulfane (CID 58227647) is dihydroxy-methyl-phenyl-λ4-sulfane.
What is the SMILES notation for dihydroxy-methyl-phenyl-λ4-sulfane?
The canonical SMILES for dihydroxy-methyl-phenyl-λ4-sulfane is CS(O)(O)c1ccccc1.
What is the InChIKey of dihydroxy-methyl-phenyl-λ4-sulfane?
The InChIKey is AAOOKBLDYQKOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6,8-9H,1H3.
What are the key properties of dihydroxy-methyl-phenyl-λ4-sulfane?
dihydroxy-methyl-phenyl-λ4-sulfane has a molecular weight of 158.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methyl-phenyl-λ4-sulfane is sourced from PubChem (CID 58227647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).