[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol

C11H13N3OS — CID 104604395

IUPAC[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
SMILESCc1cc(Sc2ncnn2C)ccc1CO
InChIInChI=1S/C11H13N3OS/c1-8-5-10(4-3-9(8)6-15)16-11-12-7-13-14(11)2/h3-5,7,15H,6H2,1-2H3
InChIKeyCKVGRBADKXISTM-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.77
Rot. Bonds3

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

[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol (PubChem CID 104604395) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
PubChem CID104604395
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
SMILESCc1cc(Sc2ncnn2C)ccc1CO
InChIInChI=1S/C11H13N3OS/c1-8-5-10(4-3-9(8)6-15)16-11-12-7-13-14(11)2/h3-5,7,15H,6H2,1-2H3
InChIKeyCKVGRBADKXISTM-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol?
The IUPAC name of [2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol (CID 104604395) is [2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol.
What is the SMILES notation for [2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol?
The canonical SMILES for [2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol is Cc1cc(Sc2ncnn2C)ccc1CO.
What is the InChIKey of [2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol?
The InChIKey is CKVGRBADKXISTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-5-10(4-3-9(8)6-15)16-11-12-7-13-14(11)2/h3-5,7,15H,6H2,1-2H3.
What are the key properties of [2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol?
[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol has a molecular weight of 235.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol is sourced from PubChem (CID 104604395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).