2-thiophen-2-ylethyl methanesulfonate

C7H10O3S2 — CID 3047723

IUPAC2-thiophen-2-ylethyl methanesulfonate
SMILESCS(=O)(=O)OCCc1cccs1
InChIInChI=1S/C7H10O3S2/c1-12(8,9)10-5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
InChIKeyVUMFRFIVUQTAPJ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.27
Rot. Bonds4

About 2-thiophen-2-ylethyl methanesulfonate

2-thiophen-2-ylethyl methanesulfonate (PubChem CID 3047723) has the molecular formula C7H10O3S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-thiophen-2-ylethyl methanesulfonate.

Molecular Properties

Compound Name2-thiophen-2-ylethyl methanesulfonate
PubChem CID3047723
Molecular FormulaC7H10O3S2
Molecular Weight206.29 g/mol
Exact Mass206.01
IUPAC Name2-thiophen-2-ylethyl methanesulfonate
SMILESCS(=O)(=O)OCCc1cccs1
InChIInChI=1S/C7H10O3S2/c1-12(8,9)10-5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
InChIKeyVUMFRFIVUQTAPJ-UHFFFAOYSA-N
XLogP1.27
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-Thiopheneethanol
CID 79400
2-(2-Thienyl)ethyl benzenesulphonate
CID 6366083
5-(2-Methoxyethyl)thiophene-2-sulfonyl chloride
CID 55279797
Ethyl 2-thenyl sulfone
CID 804405
Lithium(1+) 5-(2-methoxyethyl)thiophene-2-sulfinate
CID 165994653
Thiophen-2-ylmethyl trifluoromethanesulfonate
CID 106509990
2-(2-Ethoxyethyl)thiophene
CID 16743897
2-(2-Methoxyethyl)thiophene
CID 18622374
2-Thienylmethyl methanesulfonate
CID 18973430
2-Sulfanyl-2-thiophen-2-ylethanol
CID 57299342
(3,6-Dioxaheptyl)thiophene
CID 90150503
5-Ethyl-2-ethylsulfonylthiophene
CID 91359617

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethyl methanesulfonate?
The IUPAC name of 2-thiophen-2-ylethyl methanesulfonate (CID 3047723) is 2-thiophen-2-ylethyl methanesulfonate.
What is the SMILES notation for 2-thiophen-2-ylethyl methanesulfonate?
The canonical SMILES for 2-thiophen-2-ylethyl methanesulfonate is CS(=O)(=O)OCCc1cccs1.
What is the InChIKey of 2-thiophen-2-ylethyl methanesulfonate?
The InChIKey is VUMFRFIVUQTAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3S2/c1-12(8,9)10-5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-thiophen-2-ylethyl methanesulfonate?
2-thiophen-2-ylethyl methanesulfonate has a molecular weight of 206.29 g/mol, XLogP of 1.27, 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 methanesulfonate is sourced from PubChem (CID 3047723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).