1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol

C10H10N2OS2 — CID 63813408

IUPAC1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(Sc2nncs2)cc1
InChIInChI=1S/C10H10N2OS2/c1-7(13)8-2-4-9(5-3-8)15-10-12-11-6-14-10/h2-7,13H,1H3
InChIKeyFXWWGVBPWYRJOY-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.74
Rot. Bonds3

About 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol

1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol (PubChem CID 63813408) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
PubChem CID63813408
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
SMILESCC(O)c1ccc(Sc2nncs2)cc1
InChIInChI=1S/C10H10N2OS2/c1-7(13)8-2-4-9(5-3-8)15-10-12-11-6-14-10/h2-7,13H,1H3
InChIKeyFXWWGVBPWYRJOY-UHFFFAOYSA-N
XLogP2.74
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol?
The IUPAC name of 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol (CID 63813408) is 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol?
The canonical SMILES for 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol is CC(O)c1ccc(Sc2nncs2)cc1.
What is the InChIKey of 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol?
The InChIKey is FXWWGVBPWYRJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-7(13)8-2-4-9(5-3-8)15-10-12-11-6-14-10/h2-7,13H,1H3.
What are the key properties of 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol?
1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol has a molecular weight of 238.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 63813408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).