[5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol

C9H7ClN2OS2 — CID 114865454

IUPAC[5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol
SMILESOCc1cc(Cl)ccc1Sc1nncs1
InChIInChI=1S/C9H7ClN2OS2/c10-7-1-2-8(6(3-7)4-13)15-9-12-11-5-14-9/h1-3,5,13H,4H2
InChIKeyXYXUWSWNGDIFJK-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.84
Rot. Bonds3

About [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol

[5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol (PubChem CID 114865454) has the molecular formula C9H7ClN2OS2 and a molecular weight of 258.75 g/mol. Its IUPAC name is [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol
PubChem CID114865454
Molecular FormulaC9H7ClN2OS2
Molecular Weight258.75 g/mol
Exact Mass257.97
IUPAC Name[5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol
SMILESOCc1cc(Cl)ccc1Sc1nncs1
InChIInChI=1S/C9H7ClN2OS2/c10-7-1-2-8(6(3-7)4-13)15-9-12-11-5-14-9/h1-3,5,13H,4H2
InChIKeyXYXUWSWNGDIFJK-UHFFFAOYSA-N
XLogP2.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanol
CID 114865538
1-[4-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 114864146
4-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)benzaldehyde
CID 114863636
N-[[4-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methyl]-2-methylpropan-1-amine
CID 114864151
[5-chloro-2-(3-chlorophenyl)sulfanylphenyl]methanol
CID 114865566
[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
CID 63672826
(5-chloro-2-methylsulfanylphenyl)methanol
CID 83802070
[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 114865556
[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanamine
CID 43528963
1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63806022
3-chloro-N'-hydroxy-4-(1,3,4-thiadiazol-2-ylsulfanyl)benzenecarboximidamide
CID 76984490
(1R)-1-[3-fluoro-4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63812644

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol (CID 114865454) is [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol is OCc1cc(Cl)ccc1Sc1nncs1.
What is the InChIKey of [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol?
The InChIKey is XYXUWSWNGDIFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS2/c10-7-1-2-8(6(3-7)4-13)15-9-12-11-5-14-9/h1-3,5,13H,4H2.
What are the key properties of [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol?
[5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol has a molecular weight of 258.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]methanol is sourced from PubChem (CID 114865454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).