2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide

C9H16O2S — CID 176603935

IUPAC2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C=C/OC(C)C1CCCS1=O
InChIInChI=1S/C9H16O2S/c1-3-6-11-8(2)9-5-4-7-12(9)10/h3,6,8-9H,4-5,7H2,1-2H3/b6-3+
InChIKeyRQRRHKRBLJNFDL-ZZXKWVIFSA-N
MW188.29 g/mol
LogP1.84
Rot. Bonds3

About 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide

2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide (PubChem CID 176603935) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide.

Molecular Properties

Compound Name2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
PubChem CID176603935
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
SMILESC/C=C/OC(C)C1CCCS1=O
InChIInChI=1S/C9H16O2S/c1-3-6-11-8(2)9-5-4-7-12(9)10/h3,6,8-9H,4-5,7H2,1-2H3/b6-3+
InChIKeyRQRRHKRBLJNFDL-ZZXKWVIFSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methylidene-3-prop-1-enoxythiolane 1-oxide
CID 57782400
2-(1-Ethenoxyethyl)thiolane 1,1-dioxide
CID 176602943
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1,1-dioxide
CID 176602972
2-[[(E)-prop-1-enoxy]methyl]thiolane 1,1-dioxide
CID 176603350
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603408
2-[1-(2-Methylprop-1-enoxy)ethyl]thiolane 1-oxide
CID 176603469
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide
CID 176603489
2-[1-[(E)-prop-1-enoxy]ethyl]thiane 1-oxide
CID 176603666
2-(1-Ethenoxyethyl)thiolane 1-oxide
CID 176603901
2-[1-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176604014
2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176604051
2-[2-[(E)-prop-1-enoxy]ethyl]thiolane 1,1-dioxide
CID 176604072

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The IUPAC name of 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide (CID 176603935) is 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide.
What is the SMILES notation for 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The canonical SMILES for 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide is C/C=C/OC(C)C1CCCS1=O.
What is the InChIKey of 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
The InChIKey is RQRRHKRBLJNFDL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H16O2S/c1-3-6-11-8(2)9-5-4-7-12(9)10/h3,6,8-9H,4-5,7H2,1-2H3/b6-3+.
What are the key properties of 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide?
2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide has a molecular weight of 188.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-prop-1-enoxy]ethyl]thiolane 1-oxide is sourced from PubChem (CID 176603935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).