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

C9H12OS2 — CID 79950263

IUPAC3-(5-methylthiophen-2-yl)thiolan-3-ol
SMILESCc1ccc(C2(O)CCSC2)s1
InChIInChI=1S/C9H12OS2/c1-7-2-3-8(12-7)9(10)4-5-11-6-9/h2-3,10H,4-6H2,1H3
InChIKeyCYZGYSXEWPMOOI-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.38
Rot. Bonds1

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

3-(5-methylthiophen-2-yl)thiolan-3-ol (PubChem CID 79950263) has the molecular formula C9H12OS2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)thiolan-3-ol.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)thiolan-3-ol
PubChem CID79950263
Molecular FormulaC9H12OS2
Molecular Weight200.33 g/mol
Exact Mass200.03
IUPAC Name3-(5-methylthiophen-2-yl)thiolan-3-ol
SMILESCc1ccc(C2(O)CCSC2)s1
InChIInChI=1S/C9H12OS2/c1-7-2-3-8(12-7)9(10)4-5-11-6-9/h2-3,10H,4-6H2,1H3
InChIKeyCYZGYSXEWPMOOI-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)thiolan-3-ol?
The IUPAC name of 3-(5-methylthiophen-2-yl)thiolan-3-ol (CID 79950263) is 3-(5-methylthiophen-2-yl)thiolan-3-ol.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)thiolan-3-ol?
The canonical SMILES for 3-(5-methylthiophen-2-yl)thiolan-3-ol is Cc1ccc(C2(O)CCSC2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)thiolan-3-ol?
The InChIKey is CYZGYSXEWPMOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS2/c1-7-2-3-8(12-7)9(10)4-5-11-6-9/h2-3,10H,4-6H2,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)thiolan-3-ol?
3-(5-methylthiophen-2-yl)thiolan-3-ol has a molecular weight of 200.33 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)thiolan-3-ol is sourced from PubChem (CID 79950263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).