2-thiophen-2-ylethyl sulfite

C6H7O3S2- — CID 175017733

IUPAC2-thiophen-2-ylethyl sulfite
SMILESO=S([O-])OCCc1cccs1
InChIInChI=1S/C6H8O3S2/c7-11(8)9-4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,7,8)/p-1
InChIKeySWTDOHRQLDQDRZ-UHFFFAOYSA-M
MW191.25 g/mol
LogP1.10
Rot. Bonds4

About 2-thiophen-2-ylethyl sulfite

2-thiophen-2-ylethyl sulfite (PubChem CID 175017733) has the molecular formula C6H7O3S2- and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl sulfite.

Molecular Properties

Compound Name2-thiophen-2-ylethyl sulfite
PubChem CID175017733
Molecular FormulaC6H7O3S2-
Molecular Weight191.25 g/mol
Exact Mass190.98
IUPAC Name2-thiophen-2-ylethyl sulfite
SMILESO=S([O-])OCCc1cccs1
InChIInChI=1S/C6H8O3S2/c7-11(8)9-4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,7,8)/p-1
InChIKeySWTDOHRQLDQDRZ-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

sodium 2-thiophen-2-ylethanesulfinate
CID 165449972
2-thiophen-2-ylethyl nitrate
CID 54344199
2-thiophen-2-ylethoxysilane
CID 154346669
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
3-(2-thiophen-2-ylethoxy)benzaldehyde
CID 63775498
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
2-[2-(4-iodophenoxy)ethyl]thiophene
CID 63775309
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501
CID 59269201
CID 59269201
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713
3-(2-thiophen-2-ylethoxy)thiophene-2-carboxylic acid
CID 63774713
2-(2-thiophen-2-ylethoxy)acetohydrazide
CID 63571119

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl sulfite?
The IUPAC name of 2-thiophen-2-ylethyl sulfite (CID 175017733) is 2-thiophen-2-ylethyl sulfite.
What is the SMILES notation for 2-thiophen-2-ylethyl sulfite?
The canonical SMILES for 2-thiophen-2-ylethyl sulfite is O=S([O-])OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl sulfite?
The InChIKey is SWTDOHRQLDQDRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O3S2/c7-11(8)9-4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,7,8)/p-1.
What are the key properties of 2-thiophen-2-ylethyl sulfite?
2-thiophen-2-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-2-ylethyl sulfite is sourced from PubChem (CID 175017733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).