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

C12H14N2OS2 — CID 65274654

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCC(C)(C)c1nsc(Sc2ccccc2O)n1
InChIInChI=1S/C12H14N2OS2/c1-12(2,3)10-13-11(17-14-10)16-9-7-5-4-6-8(9)15/h4-7,15H,1-3H3
InChIKeyZFZWRDQSBDTKCL-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.69
Rot. Bonds2

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

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (PubChem CID 65274654) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
PubChem CID65274654
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol
SMILESCC(C)(C)c1nsc(Sc2ccccc2O)n1
InChIInChI=1S/C12H14N2OS2/c1-12(2,3)10-13-11(17-14-10)16-9-7-5-4-6-8(9)15/h4-7,15H,1-3H3
InChIKeyZFZWRDQSBDTKCL-UHFFFAOYSA-N
XLogP3.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol (CID 65274654) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is CC(C)(C)c1nsc(Sc2ccccc2O)n1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
The InChIKey is ZFZWRDQSBDTKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-12(2,3)10-13-11(17-14-10)16-9-7-5-4-6-8(9)15/h4-7,15H,1-3H3.
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol has a molecular weight of 266.39 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenol is sourced from PubChem (CID 65274654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).