(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol

C11H13N3OS — CID 129393821

IUPAC(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol
SMILESCSc1ccc(-n2cc([C@H](C)O)nn2)cc1
InChIInChI=1S/C11H13N3OS/c1-8(15)11-7-14(13-12-11)9-3-5-10(16-2)6-4-9/h3-8,15H,1-2H3/t8-/m0/s1
InChIKeyMKZBPGRIYJUJCG-QMMMGPOBSA-N
MW235.31 g/mol
LogP2.04
Rot. Bonds3

About (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol

(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol (PubChem CID 129393821) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol
PubChem CID129393821
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol
SMILESCSc1ccc(-n2cc([C@H](C)O)nn2)cc1
InChIInChI=1S/C11H13N3OS/c1-8(15)11-7-14(13-12-11)9-3-5-10(16-2)6-4-9/h3-8,15H,1-2H3/t8-/m0/s1
InChIKeyMKZBPGRIYJUJCG-QMMMGPOBSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[1-(4-tert-butylphenyl)triazol-4-yl]ethanol
CID 129393823
(1S)-1-[1-(3-fluoro-4-methylphenyl)triazol-4-yl]ethanol
CID 129393826
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194
1-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]ethanol
CID 81444929
1-(1-quinolin-6-yltriazol-4-yl)ethanol
CID 81444375
1-[1-(5-methyl-3-pyridinyl)triazol-4-yl]ethanol
CID 107586775
(1R)-1-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 129393829
1-[1-(3-bromo-4-nitrophenyl)triazol-4-yl]ethanol
CID 82866649
4-(1-chloroethyl)-1-(4-ethylphenyl)triazole
CID 81444797
1-[1-(4-fluoro-2-iodophenyl)triazol-4-yl]ethanol
CID 81444281
4-(1-bromoethyl)-1-(4-propan-2-ylphenyl)triazole
CID 81444887
N-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205641

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol (CID 129393821) is (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol is CSc1ccc(-n2cc([C@H](C)O)nn2)cc1.
What is the InChIKey of (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol?
The InChIKey is MKZBPGRIYJUJCG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8(15)11-7-14(13-12-11)9-3-5-10(16-2)6-4-9/h3-8,15H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol?
(1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol has a molecular weight of 235.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(4-methylsulfanylphenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 129393821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).