4-(1,2,5-thiadiazol-3-yl)phenol

C8H6N2OS — CID 137292619

IUPAC4-(1,2,5-thiadiazol-3-yl)phenol
SMILESOc1ccc(-c2cnsn2)cc1
InChIInChI=1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-9-12-10-8/h1-5,11H
InChIKeyWIAKJHLHVPEJHF-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.91
Rot. Bonds1

About 4-(1,2,5-thiadiazol-3-yl)phenol

4-(1,2,5-thiadiazol-3-yl)phenol (PubChem CID 137292619) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 4-(1,2,5-thiadiazol-3-yl)phenol.

Molecular Properties

Compound Name4-(1,2,5-thiadiazol-3-yl)phenol
PubChem CID137292619
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name4-(1,2,5-thiadiazol-3-yl)phenol
SMILESOc1ccc(-c2cnsn2)cc1
InChIInChI=1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-9-12-10-8/h1-5,11H
InChIKeyWIAKJHLHVPEJHF-UHFFFAOYSA-N
XLogP1.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
3-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole
CID 19075418
4-(2H-triazol-4-yl)phenol;hydrate
CID 174757951
4-(4-chloro-1,2,5-thiadiazol-3-yl)phenol
CID 135666744
4-[5-(4-hydroxyphenyl)-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenol
CID 716380
4-(6-aminopyrazin-2-yl)phenol
CID 141193049
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
4-(1,2,4-thiadiazol-5-yl)phenol
CID 139536986
4-isoquinolin-3-ylphenol;tetrahydrochloride
CID 140752997
[4-[5-(4-hydroxyphenyl)-1,2-oxazol-3-yl]phenyl]boronic acid
CID 136633818
argon;benzene-1,4-diol
CID 71441175

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,5-thiadiazol-3-yl)phenol?
The IUPAC name of 4-(1,2,5-thiadiazol-3-yl)phenol (CID 137292619) is 4-(1,2,5-thiadiazol-3-yl)phenol.
What is the SMILES notation for 4-(1,2,5-thiadiazol-3-yl)phenol?
The canonical SMILES for 4-(1,2,5-thiadiazol-3-yl)phenol is Oc1ccc(-c2cnsn2)cc1.
What is the InChIKey of 4-(1,2,5-thiadiazol-3-yl)phenol?
The InChIKey is WIAKJHLHVPEJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-9-12-10-8/h1-5,11H.
What are the key properties of 4-(1,2,5-thiadiazol-3-yl)phenol?
4-(1,2,5-thiadiazol-3-yl)phenol has a molecular weight of 178.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,5-thiadiazol-3-yl)phenol is sourced from PubChem (CID 137292619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).