4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol

C9H8N2OS2 — CID 65273091

IUPAC4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCc1nsc(Sc2ccc(O)cc2)n1
InChIInChI=1S/C9H8N2OS2/c1-6-10-9(14-11-6)13-8-4-2-7(12)3-5-8/h2-5,12H,1H3
InChIKeyHIPFDBMASCWNGG-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.70
Rot. Bonds2

About 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol

4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (PubChem CID 65273091) has the molecular formula C9H8N2OS2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.

Molecular Properties

Compound Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
PubChem CID65273091
Molecular FormulaC9H8N2OS2
Molecular Weight224.31 g/mol
Exact Mass224.01
IUPAC Name4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCc1nsc(Sc2ccc(O)cc2)n1
InChIInChI=1S/C9H8N2OS2/c1-6-10-9(14-11-6)13-8-4-2-7(12)3-5-8/h2-5,12H,1H3
InChIKeyHIPFDBMASCWNGG-UHFFFAOYSA-N
XLogP2.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The IUPAC name of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (CID 65273091) is 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.
What is the SMILES notation for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The canonical SMILES for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is Cc1nsc(Sc2ccc(O)cc2)n1.
What is the InChIKey of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The InChIKey is HIPFDBMASCWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS2/c1-6-10-9(14-11-6)13-8-4-2-7(12)3-5-8/h2-5,12H,1H3.
What are the key properties of 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol has a molecular weight of 224.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is sourced from PubChem (CID 65273091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).