2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol

C10H16N2OS — CID 79951361

IUPAC2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol
SMILESCC1SCCCC1(O)c1ccnn1C
InChIInChI=1S/C10H16N2OS/c1-8-10(13,5-3-7-14-8)9-4-6-11-12(9)2/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyGXYSMUIJOCJBJT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.52
Rot. Bonds1

About 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol

2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol (PubChem CID 79951361) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol.

Molecular Properties

Compound Name2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol
PubChem CID79951361
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol
SMILESCC1SCCCC1(O)c1ccnn1C
InChIInChI=1S/C10H16N2OS/c1-8-10(13,5-3-7-14-8)9-4-6-11-12(9)2/h4,6,8,13H,3,5,7H2,1-2H3
InChIKeyGXYSMUIJOCJBJT-UHFFFAOYSA-N
XLogP1.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-methylpyrazol-3-yl)cycloheptan-1-ol
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3-(2-methylpyrazol-3-yl)thiolan-3-ol
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5-methyl-1-(2-methylpyrazol-3-yl)-2-propan-2-ylcyclohexan-1-ol
CID 63960927
3-(4-cyclobutylphenyl)-2-methylthian-3-ol
CID 116505414
1-(2-methylpyrazol-3-yl)cyclobutan-1-amine
CID 82594917
2-methyl-3-(4-propylphenyl)thian-3-ol
CID 79952547
3-(2-methylpyrazol-3-yl)oxolan-3-ol
CID 63960932
3-(3-bromo-2-fluorophenyl)-2-methylthian-3-ol
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CID 64756732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol?
The IUPAC name of 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol (CID 79951361) is 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol.
What is the SMILES notation for 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol?
The canonical SMILES for 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol is CC1SCCCC1(O)c1ccnn1C.
What is the InChIKey of 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol?
The InChIKey is GXYSMUIJOCJBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-10(13,5-3-7-14-8)9-4-6-11-12(9)2/h4,6,8,13H,3,5,7H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol?
2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol has a molecular weight of 212.32 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpyrazol-3-yl)thian-3-ol is sourced from PubChem (CID 79951361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).