[2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid

C7H12O2S — CID 130367221

IUPAC[2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid
SMILESC/C=C/C1CC1CS(=O)O
InChIInChI=1S/C7H12O2S/c1-2-3-6-4-7(6)5-10(8)9/h2-3,6-7H,4-5H2,1H3,(H,8,9)/b3-2+
InChIKeyDPPQKMUTKKWJHC-NSCUHMNNSA-N
MW160.24 g/mol
LogP1.42
Rot. Bonds3

About [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid

[2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid (PubChem CID 130367221) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid.

Molecular Properties

Compound Name[2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid
PubChem CID130367221
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name[2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid
SMILESC/C=C/C1CC1CS(=O)O
InChIInChI=1S/C7H12O2S/c1-2-3-6-4-7(6)5-10(8)9/h2-3,6-7H,4-5H2,1H3,(H,8,9)/b3-2+
InChIKeyDPPQKMUTKKWJHC-NSCUHMNNSA-N
XLogP1.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid?
The IUPAC name of [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid (CID 130367221) is [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid.
What is the SMILES notation for [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid?
The canonical SMILES for [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid is C/C=C/C1CC1CS(=O)O.
What is the InChIKey of [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid?
The InChIKey is DPPQKMUTKKWJHC-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12O2S/c1-2-3-6-4-7(6)5-10(8)9/h2-3,6-7H,4-5H2,1H3,(H,8,9)/b3-2+.
What are the key properties of [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid?
[2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid has a molecular weight of 160.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-prop-1-enyl]cyclopropyl]methanesulfinic acid is sourced from PubChem (CID 130367221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).