3-thiophen-3-ylpropyl hydrogen sulfite

C7H10O3S2 — CID 174522785

IUPAC3-thiophen-3-ylpropyl hydrogen sulfite
SMILESO=S(O)OCCCc1ccsc1
InChIInChI=1S/C7H10O3S2/c8-12(9)10-4-1-2-7-3-5-11-6-7/h3,5-6H,1-2,4H2,(H,8,9)
InChIKeyAEAXMFVHLSSJMZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.83
Rot. Bonds5

About 3-thiophen-3-ylpropyl hydrogen sulfite

3-thiophen-3-ylpropyl hydrogen sulfite (PubChem CID 174522785) has the molecular formula C7H10O3S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-thiophen-3-ylpropyl hydrogen sulfite.

Molecular Properties

Compound Name3-thiophen-3-ylpropyl hydrogen sulfite
PubChem CID174522785
Molecular FormulaC7H10O3S2
Molecular Weight206.29 g/mol
Exact Mass206.01
IUPAC Name3-thiophen-3-ylpropyl hydrogen sulfite
SMILESO=S(O)OCCCc1ccsc1
InChIInChI=1S/C7H10O3S2/c8-12(9)10-4-1-2-7-3-5-11-6-7/h3,5-6H,1-2,4H2,(H,8,9)
InChIKeyAEAXMFVHLSSJMZ-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-thiophen-3-ylpropyl hydrogen sulfite 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

2-thiophen-3-ylethyl sulfite
CID 175253274
4-thiophen-3-ylbutan-1-ol
CID 54222621
12-thiophen-3-yldodecan-1-ol
CID 67533520
5-thiophen-3-ylpentanamide
CID 11171370
4-thiophen-3-ylbutanoate
CID 86324435
6-thiophen-3-ylhexanoic acid
CID 24722734
1-phenyl-5-thiophen-3-ylpentan-1-one
CID 64503847
5-thiophen-3-ylpentanal
CID 15807672
8-thiophen-3-yloctane-1-sulfonic acid
CID 87451833
3-(6-bromohexyl)thiophene
CID 11447992
3-heptylthiophene;3-hexylthiophene
CID 159152668
12-thiophen-3-yldodecane-1-thiol
CID 71363861

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-ylpropyl hydrogen sulfite?
The IUPAC name of 3-thiophen-3-ylpropyl hydrogen sulfite (CID 174522785) is 3-thiophen-3-ylpropyl hydrogen sulfite.
What is the SMILES notation for 3-thiophen-3-ylpropyl hydrogen sulfite?
The canonical SMILES for 3-thiophen-3-ylpropyl hydrogen sulfite is O=S(O)OCCCc1ccsc1.
What is the InChIKey of 3-thiophen-3-ylpropyl hydrogen sulfite?
The InChIKey is AEAXMFVHLSSJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S2/c8-12(9)10-4-1-2-7-3-5-11-6-7/h3,5-6H,1-2,4H2,(H,8,9).
What are the key properties of 3-thiophen-3-ylpropyl hydrogen sulfite?
3-thiophen-3-ylpropyl hydrogen sulfite has a molecular weight of 206.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-ylpropyl hydrogen sulfite is sourced from PubChem (CID 174522785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).