(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol

C5H9N3OS — CID 106933255

IUPAC(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
SMILESC[C@H](O)CSc1ncn[nH]1
InChIInChI=1S/C5H9N3OS/c1-4(9)2-10-5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8)/t4-/m0/s1
InChIKeySLIREXQDTHEMKI-BYPYZUCNSA-N
MW159.21 g/mol
LogP0.28
Rot. Bonds3

About (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol

(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol (PubChem CID 106933255) has the molecular formula C5H9N3OS and a molecular weight of 159.21 g/mol. Its IUPAC name is (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
PubChem CID106933255
Molecular FormulaC5H9N3OS
Molecular Weight159.21 g/mol
Exact Mass159.05
IUPAC Name(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
SMILESC[C@H](O)CSc1ncn[nH]1
InChIInChI=1S/C5H9N3OS/c1-4(9)2-10-5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8)/t4-/m0/s1
InChIKeySLIREXQDTHEMKI-BYPYZUCNSA-N
XLogP0.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 2842739
1-(4-tert-butylphenoxy)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 2843367
1H-1,2,4-triazol-5-ylsulfanylmethanamine
CID 67903702
1-piperazin-1-yl-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 65449465
5-(methoxymethylsulfanyl)-1H-1,2,4-triazole
CID 21177764
(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol
CID 100726062
1-(4-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64621992
6-(1H-1,2,4-triazol-5-ylsulfanyl)hexan-2-amine
CID 64621223
1-[4-chloro-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]ethanol
CID 20980066
N-pentan-3-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7784986
N-methyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)prop-2-en-1-amine
CID 103068229
1-(1H-1,2,4-triazol-5-ylsulfanyl)pentane-2,4-dione
CID 22414245

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
The IUPAC name of (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol (CID 106933255) is (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol.
What is the SMILES notation for (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
The canonical SMILES for (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol is C[C@H](O)CSc1ncn[nH]1.
What is the InChIKey of (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
The InChIKey is SLIREXQDTHEMKI-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9N3OS/c1-4(9)2-10-5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8)/t4-/m0/s1.
What are the key properties of (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol has a molecular weight of 159.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 106933255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).