2-thiophen-3-ylethyl sulfite

C6H7O3S2- — CID 175253274

IUPAC2-thiophen-3-ylethyl sulfite
SMILESO=S([O-])OCCc1ccsc1
InChIInChI=1S/C6H8O3S2/c7-11(8)9-3-1-6-2-4-10-5-6/h2,4-5H,1,3H2,(H,7,8)/p-1
InChIKeyKFMSFKDZGDWBEO-UHFFFAOYSA-M
MW191.25 g/mol
LogP1.10
Rot. Bonds4

About 2-thiophen-3-ylethyl sulfite

2-thiophen-3-ylethyl sulfite (PubChem CID 175253274) has the molecular formula C6H7O3S2- and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-thiophen-3-ylethyl sulfite.

Molecular Properties

Compound Name2-thiophen-3-ylethyl sulfite
PubChem CID175253274
Molecular FormulaC6H7O3S2-
Molecular Weight191.25 g/mol
Exact Mass190.98
IUPAC Name2-thiophen-3-ylethyl sulfite
SMILESO=S([O-])OCCc1ccsc1
InChIInChI=1S/C6H8O3S2/c7-11(8)9-3-1-6-2-4-10-5-6/h2,4-5H,1,3H2,(H,7,8)/p-1
InChIKeyKFMSFKDZGDWBEO-UHFFFAOYSA-M
XLogP1.10
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-thiophen-3-ylpropyl hydrogen sulfite
CID 174522785
thiophen-3-ylmethanesulfinate
CID 174844366
2-(4-aminophenyl)ethyl sulfite
CID 89371135
2-thiophen-2-ylethyl sulfite
CID 175017733
3-(2-ethenoxyethyl)thiophene
CID 70162385
2-thiophen-3-ylethyl 2-bromo-2-methylpropanoate
CID 86077032
3-[2-(2-ethylphenoxy)ethyl]thiophene
CID 64764009
[(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium
CID 102299625
azane;3-propylthiophene
CID 174446539
4-thiophen-3-ylbutanoate
CID 86324435
sodium;hydride;2-thiophen-3-ylbutyl sulfite
CID 174298231
N,N-diethyl-4-(2-thiophen-3-ylethoxy)benzenesulfonamide
CID 101025085

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylethyl sulfite?
The IUPAC name of 2-thiophen-3-ylethyl sulfite (CID 175253274) is 2-thiophen-3-ylethyl sulfite.
What is the SMILES notation for 2-thiophen-3-ylethyl sulfite?
The canonical SMILES for 2-thiophen-3-ylethyl sulfite is O=S([O-])OCCc1ccsc1.
What is the InChIKey of 2-thiophen-3-ylethyl sulfite?
The InChIKey is KFMSFKDZGDWBEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O3S2/c7-11(8)9-3-1-6-2-4-10-5-6/h2,4-5H,1,3H2,(H,7,8)/p-1.
What are the key properties of 2-thiophen-3-ylethyl sulfite?
2-thiophen-3-ylethyl sulfite has a molecular weight of 191.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylethyl sulfite is sourced from PubChem (CID 175253274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).