1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol

C11H13N3OS — CID 104604418

IUPAC1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
SMILESCC(O)c1ccccc1Sc1ncnn1C
InChIInChI=1S/C11H13N3OS/c1-8(15)9-5-3-4-6-10(9)16-11-12-7-13-14(11)2/h3-8,15H,1-2H3
InChIKeySZEXTMNVYYMDHJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.02
Rot. Bonds3

About 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol

1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol (PubChem CID 104604418) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
PubChem CID104604418
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
SMILESCC(O)c1ccccc1Sc1ncnn1C
InChIInChI=1S/C11H13N3OS/c1-8(15)9-5-3-4-6-10(9)16-11-12-7-13-14(11)2/h3-8,15H,1-2H3
InChIKeySZEXTMNVYYMDHJ-UHFFFAOYSA-N
XLogP2.02
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol (CID 104604418) is 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol is CC(O)c1ccccc1Sc1ncnn1C.
What is the InChIKey of 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The InChIKey is SZEXTMNVYYMDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8(15)9-5-3-4-6-10(9)16-11-12-7-13-14(11)2/h3-8,15H,1-2H3.
What are the key properties of 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol has a molecular weight of 235.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 104604418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).