2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol

C6H11N3OS — CID 103866287

IUPAC2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol
SMILESCn1cc(CSCCO)nn1
InChIInChI=1S/C6H11N3OS/c1-9-4-6(7-8-9)5-11-3-2-10/h4,10H,2-3,5H2,1H3
InChIKeyKUQRAJATPZLEAD-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.04
Rot. Bonds4

About 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol

2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol (PubChem CID 103866287) has the molecular formula C6H11N3OS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol
PubChem CID103866287
Molecular FormulaC6H11N3OS
Molecular Weight173.24 g/mol
Exact Mass173.06
IUPAC Name2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol
SMILESCn1cc(CSCCO)nn1
InChIInChI=1S/C6H11N3OS/c1-9-4-6(7-8-9)5-11-3-2-10/h4,10H,2-3,5H2,1H3
InChIKeyKUQRAJATPZLEAD-UHFFFAOYSA-N
XLogP0.04
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[(1-methyltriazol-4-yl)methylsulfanyl]butanoic acid
CID 107043231
(1-methyltriazol-4-yl)methanol;tungsten
CID 163298775
2-[(2-methyltriazol-4-yl)methylsulfanyl]ethanol
CID 130588294
(2R)-2-acetamido-3-[(1-methyltriazol-4-yl)methylsulfanyl]propanoic acid
CID 107774544
2-[(1-methyltriazol-4-yl)methyl]propane-1,3-diol
CID 107058357
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]ethanol
CID 115778052
ethane;4-ethyl-1-methyltriazole
CID 143593274
(3S,6S)-2-methyl-6-[(1-methyltriazol-4-yl)methylsulfanyl]oxane-3,5-diol
CID 174012739
2-amino-3-(1-methyltriazol-4-yl)propan-1-ol
CID 107055170
2-(1-methyltriazol-4-yl)acetic acid
CID 58281215
3-[ethyl-[(1-methyltriazol-4-yl)methyl]amino]propan-1-ol
CID 103866980
3-[(1-methyltriazol-4-yl)methylamino]propane-1,2-diol
CID 66176969

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol (CID 103866287) is 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol is Cn1cc(CSCCO)nn1.
What is the InChIKey of 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol?
The InChIKey is KUQRAJATPZLEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS/c1-9-4-6(7-8-9)5-11-3-2-10/h4,10H,2-3,5H2,1H3.
What are the key properties of 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol?
2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol has a molecular weight of 173.24 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltriazol-4-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 103866287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).