1,1-dimethylthiophen-3-ol

C6H10OS — CID 175079083

IUPAC1,1-dimethylthiophen-3-ol
SMILESCS1(C)C=CC(O)=C1
InChIInChI=1S/C6H10OS/c1-8(2)4-3-6(7)5-8/h3-5,7H,1-2H3
InChIKeyWZOBAPOOXSBLMT-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.98
Rot. Bonds

About 1,1-dimethylthiophen-3-ol

1,1-dimethylthiophen-3-ol (PubChem CID 175079083) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 1,1-dimethylthiophen-3-ol.

Molecular Properties

Compound Name1,1-dimethylthiophen-3-ol
PubChem CID175079083
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name1,1-dimethylthiophen-3-ol
SMILESCS1(C)C=CC(O)=C1
InChIInChI=1S/C6H10OS/c1-8(2)4-3-6(7)5-8/h3-5,7H,1-2H3
InChIKeyWZOBAPOOXSBLMT-UHFFFAOYSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylthiophen-3-ol?
The IUPAC name of 1,1-dimethylthiophen-3-ol (CID 175079083) is 1,1-dimethylthiophen-3-ol.
What is the SMILES notation for 1,1-dimethylthiophen-3-ol?
The canonical SMILES for 1,1-dimethylthiophen-3-ol is CS1(C)C=CC(O)=C1.
What is the InChIKey of 1,1-dimethylthiophen-3-ol?
The InChIKey is WZOBAPOOXSBLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-8(2)4-3-6(7)5-8/h3-5,7H,1-2H3.
What are the key properties of 1,1-dimethylthiophen-3-ol?
1,1-dimethylthiophen-3-ol has a molecular weight of 130.21 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylthiophen-3-ol is sourced from PubChem (CID 175079083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).