1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol

C14H19N3OS — CID 66087361

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol
SMILESCCn1ncnc1CC(O)CSc1cccc(C)c1
InChIInChI=1S/C14H19N3OS/c1-3-17-14(15-10-16-17)8-12(18)9-19-13-6-4-5-11(2)7-13/h4-7,10,12,18H,3,8-9H2,1-2H3
InChIKeyRYZGLIYSFOMFDY-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.30
Rot. Bonds6

About 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol

1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66087361) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol
PubChem CID66087361
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol
SMILESCCn1ncnc1CC(O)CSc1cccc(C)c1
InChIInChI=1S/C14H19N3OS/c1-3-17-14(15-10-16-17)8-12(18)9-19-13-6-4-5-11(2)7-13/h4-7,10,12,18H,3,8-9H2,1-2H3
InChIKeyRYZGLIYSFOMFDY-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)sulfanyl-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66146421
1-(3-methylphenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 66086798
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-ol
CID 66088143
1-(4-chlorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
CID 66144345
1-(3-methylphenyl)sulfanyl-3-propoxypropan-2-ol
CID 79566648
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
[3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]phenyl]methanol
CID 66349523
1-(3-chlorophenoxy)-3-(2-ethyl-1,2,4-triazol-3-yl)propan-2-ol
CID 105109087
3-[(2-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]aniline
CID 79133781
1-(3-methylphenyl)sulfanylpropan-2-ol
CID 61244165
4,6-dimethyl-1-(3-methylphenyl)sulfanylheptan-2-ol
CID 114200730
1-(3-methylphenyl)sulfanylundecan-2-ol
CID 66086586

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol (CID 66087361) is 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol is CCn1ncnc1CC(O)CSc1cccc(C)c1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is RYZGLIYSFOMFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-17-14(15-10-16-17)8-12(18)9-19-13-6-4-5-11(2)7-13/h4-7,10,12,18H,3,8-9H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol?
1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 277.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-3-(3-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66087361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).