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

C11H12ClN3OS — CID 113431914

IUPAC(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncnn2C)c(Cl)c1
InChIInChI=1S/C11H12ClN3OS/c1-7(16)8-3-4-10(9(12)5-8)17-11-13-6-14-15(11)2/h3-7,16H,1-2H3/t7-/m1/s1
InChIKeyQNRBNMZISQJXDG-SSDOTTSWSA-N
MW269.76 g/mol
LogP2.67
Rot. Bonds3

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

(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol (PubChem CID 113431914) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
PubChem CID113431914
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC Name(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Sc2ncnn2C)c(Cl)c1
InChIInChI=1S/C11H12ClN3OS/c1-7(16)8-3-4-10(9(12)5-8)17-11-13-6-14-15(11)2/h3-7,16H,1-2H3/t7-/m1/s1
InChIKeyQNRBNMZISQJXDG-SSDOTTSWSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1R)-1-[3-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431911
3-chloro-N'-hydroxy-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 113431722
1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 104604418
1-[3-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 104603360
(1S)-1-[3-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine
CID 113431748
1-[3-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 113431740
4-[(1R)-1-hydroxyethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 113431913
1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 63835578
[5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 104603463
(1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 55239857
(1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
CID 104604414
(1R)-1-[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]ethanol
CID 78951858

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol (CID 113431914) is (1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol is C[C@@H](O)c1ccc(Sc2ncnn2C)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
The InChIKey is QNRBNMZISQJXDG-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-7(16)8-3-4-10(9(12)5-8)17-11-13-6-14-15(11)2/h3-7,16H,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol?
(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol has a molecular weight of 269.76 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol is sourced from PubChem (CID 113431914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).