5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol

C10H14OS2 — CID 102829319

IUPAC5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol
SMILESCc1sccc1C1(O)CSC(C)C1
InChIInChI=1S/C10H14OS2/c1-7-5-10(11,6-13-7)9-3-4-12-8(9)2/h3-4,7,11H,5-6H2,1-2H3
InChIKeyVLAGVFJTTVSKTL-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.77
Rot. Bonds1

About 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol

5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol (PubChem CID 102829319) has the molecular formula C10H14OS2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol.

Molecular Properties

Compound Name5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol
PubChem CID102829319
Molecular FormulaC10H14OS2
Molecular Weight214.35 g/mol
Exact Mass214.05
IUPAC Name5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol
SMILESCc1sccc1C1(O)CSC(C)C1
InChIInChI=1S/C10H14OS2/c1-7-5-10(11,6-13-7)9-3-4-12-8(9)2/h3-4,7,11H,5-6H2,1-2H3
InChIKeyVLAGVFJTTVSKTL-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylthiophen-3-yl)oxan-4-ol
CID 102829109
3-amino-1-(2-methylthiophen-3-yl)cyclohexan-1-ol
CID 102829342
8-(2-methylthiophen-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 102829288
5-methyl-3-(4-propan-2-ylphenyl)thiolan-3-ol
CID 79949213
6-methyl-3-(2-methylphenyl)thian-3-ol
CID 131251159
3-[2-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-ol
CID 113438152
3-(2-amino-5-chloro-3-pyridinyl)-5-methylthiolan-3-ol
CID 79949810
2-methyl-3-(2-methylthiophen-3-yl)piperidin-3-ol
CID 130855323
3-(2-fluoro-4,6-dimethylphenyl)-5-methylthiolan-3-ol
CID 106880467
5-(3-hydroxy-5-methylthiolan-3-yl)furan-2-carboxylic acid
CID 106946211
1,3,3-trimethyl-2-(2-methylthiophen-3-yl)bicyclo[2.2.1]heptan-2-ol
CID 102829369
(3R,6R)-3-(2-bromophenyl)-6-methylthian-3-ol
CID 125427015

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol?
The IUPAC name of 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol (CID 102829319) is 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol.
What is the SMILES notation for 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol?
The canonical SMILES for 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol is Cc1sccc1C1(O)CSC(C)C1.
What is the InChIKey of 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol?
The InChIKey is VLAGVFJTTVSKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS2/c1-7-5-10(11,6-13-7)9-3-4-12-8(9)2/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol?
5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol has a molecular weight of 214.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylthiophen-3-yl)thiolan-3-ol is sourced from PubChem (CID 102829319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).