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

C11H13N3OS — CID 63813692

IUPAC(1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1Sc1nncn1C
InChIInChI=1S/C11H13N3OS/c1-8(15)9-5-3-4-6-10(9)16-11-13-12-7-14(11)2/h3-8,15H,1-2H3/t8-/m0/s1
InChIKeyCRURHSWBZFFUAH-QMMMGPOBSA-N
MW235.31 g/mol
LogP2.02
Rot. Bonds3

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

(1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol (PubChem CID 63813692) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is (1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
PubChem CID63813692
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name(1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
SMILESC[C@H](O)c1ccccc1Sc1nncn1C
InChIInChI=1S/C11H13N3OS/c1-8(15)9-5-3-4-6-10(9)16-11-13-12-7-14(11)2/h3-8,15H,1-2H3/t8-/m0/s1
InChIKeyCRURHSWBZFFUAH-QMMMGPOBSA-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

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

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Related Compounds

1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 63812777
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 43189336
1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-ol
CID 112680054
1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 104604418
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 28602383
methyl 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzoate
CID 138109724
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
CID 83128499
1-[2-fluoro-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 43286360
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
(1R)-1-[2-methoxy-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113389119
1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]ethanol
CID 63814151

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol (CID 63813692) is (1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol is C[C@H](O)c1ccccc1Sc1nncn1C.
What is the InChIKey of (1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The InChIKey is CRURHSWBZFFUAH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8(15)9-5-3-4-6-10(9)16-11-13-12-7-14(11)2/h3-8,15H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
(1S)-1-[2-[(4-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 (1S)-1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 63813692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).