ethyl thiophen-3-yl sulfate

C6H8O4S2 — CID 135236003

IUPACethyl thiophen-3-yl sulfate
SMILESCCOS(=O)(=O)Oc1ccsc1
InChIInChI=1S/C6H8O4S2/c1-2-9-12(7,8)10-6-3-4-11-5-6/h3-5H,2H2,1H3
InChIKeyYXSBIMSDKSHECJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.41
Rot. Bonds4

About ethyl thiophen-3-yl sulfate

ethyl thiophen-3-yl sulfate (PubChem CID 135236003) has the molecular formula C6H8O4S2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl thiophen-3-yl sulfate.

Molecular Properties

Compound Nameethyl thiophen-3-yl sulfate
PubChem CID135236003
Molecular FormulaC6H8O4S2
Molecular Weight208.26 g/mol
Exact Mass207.99
IUPAC Nameethyl thiophen-3-yl sulfate
SMILESCCOS(=O)(=O)Oc1ccsc1
InChIInChI=1S/C6H8O4S2/c1-2-9-12(7,8)10-6-3-4-11-5-6/h3-5H,2H2,1H3
InChIKeyYXSBIMSDKSHECJ-UHFFFAOYSA-N
XLogP1.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl thiophen-3-yl sulfate?
The IUPAC name of ethyl thiophen-3-yl sulfate (CID 135236003) is ethyl thiophen-3-yl sulfate.
What is the SMILES notation for ethyl thiophen-3-yl sulfate?
The canonical SMILES for ethyl thiophen-3-yl sulfate is CCOS(=O)(=O)Oc1ccsc1.
What is the InChIKey of ethyl thiophen-3-yl sulfate?
The InChIKey is YXSBIMSDKSHECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4S2/c1-2-9-12(7,8)10-6-3-4-11-5-6/h3-5H,2H2,1H3.
What are the key properties of ethyl thiophen-3-yl sulfate?
ethyl thiophen-3-yl sulfate has a molecular weight of 208.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl thiophen-3-yl sulfate is sourced from PubChem (CID 135236003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).