2-propyl-2,3-dihydrothiophen-3-ol

C7H12OS — CID 57074691

IUPAC2-propyl-2,3-dihydrothiophen-3-ol
SMILESCCCC1SC=CC1O
InChIInChI=1S/C7H12OS/c1-2-3-7-6(8)4-5-9-7/h4-8H,2-3H2,1H3
InChIKeyVWEKCJCGZZPBRQ-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.78
Rot. Bonds2

About 2-propyl-2,3-dihydrothiophen-3-ol

2-propyl-2,3-dihydrothiophen-3-ol (PubChem CID 57074691) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-propyl-2,3-dihydrothiophen-3-ol.

Molecular Properties

Compound Name2-propyl-2,3-dihydrothiophen-3-ol
PubChem CID57074691
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name2-propyl-2,3-dihydrothiophen-3-ol
SMILESCCCC1SC=CC1O
InChIInChI=1S/C7H12OS/c1-2-3-7-6(8)4-5-9-7/h4-8H,2-3H2,1H3
InChIKeyVWEKCJCGZZPBRQ-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-2,3-dihydrothiophen-3-ol?
The IUPAC name of 2-propyl-2,3-dihydrothiophen-3-ol (CID 57074691) is 2-propyl-2,3-dihydrothiophen-3-ol.
What is the SMILES notation for 2-propyl-2,3-dihydrothiophen-3-ol?
The canonical SMILES for 2-propyl-2,3-dihydrothiophen-3-ol is CCCC1SC=CC1O.
What is the InChIKey of 2-propyl-2,3-dihydrothiophen-3-ol?
The InChIKey is VWEKCJCGZZPBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-3-7-6(8)4-5-9-7/h4-8H,2-3H2,1H3.
What are the key properties of 2-propyl-2,3-dihydrothiophen-3-ol?
2-propyl-2,3-dihydrothiophen-3-ol has a molecular weight of 144.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2,3-dihydrothiophen-3-ol is sourced from PubChem (CID 57074691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).