3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide

C7H10OS — CID 89442302

IUPAC3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide
SMILESC=C(C)C1C=CS(=O)C1
InChIInChI=1S/C7H10OS/c1-6(2)7-3-4-9(8)5-7/h3-4,7H,1,5H2,2H3
InChIKeyXZZRHVHBXCUGLO-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.45
Rot. Bonds1

About 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide

3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide (PubChem CID 89442302) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide.

Molecular Properties

Compound Name3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide
PubChem CID89442302
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide
SMILESC=C(C)C1C=CS(=O)C1
InChIInChI=1S/C7H10OS/c1-6(2)7-3-4-9(8)5-7/h3-4,7H,1,5H2,2H3
InChIKeyXZZRHVHBXCUGLO-UHFFFAOYSA-N
XLogP1.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl dihydro thiophenone
CID 68099525
4-t-Butylthio-2-sulfolene
CID 129790319
4-n-Butylthio-2-sulfolene
CID 129790405
InChI=1/C6H8OS/c1-2-6-3-4-8(7)5-6/h2,5H,1,3-4H
CID 14140764
2,3-Dimethyl-2,3-dihydrothiophene
CID 18975102
2,2,3-trimethyl-3H-thiophene 1,1-dioxide
CID 20312614
3-Ethyl-2,3-dihydrothiophene 1,1-dioxide
CID 20312649
2,2-dimethyl-3H-thiophene 1,1-dioxide
CID 20312664
4-Methyl-2,3-dihydrothiophene 1-oxide
CID 53875477
2,3-Dimethyl-2,3-dihydrothiophene 1-oxide
CID 54398136
2,3-Dimethyl-2,3-dihydrothiophene 1,1-dioxide
CID 54512634
3-Ethyl-2,3-dihydrothiophene
CID 57009138

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide?
The IUPAC name of 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide (CID 89442302) is 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide.
What is the SMILES notation for 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide?
The canonical SMILES for 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide is C=C(C)C1C=CS(=O)C1.
What is the InChIKey of 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide?
The InChIKey is XZZRHVHBXCUGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-6(2)7-3-4-9(8)5-7/h3-4,7H,1,5H2,2H3.
What are the key properties of 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide?
3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide has a molecular weight of 142.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-2,3-dihydrothiophene 1-oxide is sourced from PubChem (CID 89442302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).