ethyl 2-thiophen-2-ylsulfanylacetate

C8H10O2S2 — CID 15415459

IUPACethyl 2-thiophen-2-ylsulfanylacetate
SMILESCCOC(=O)CSc1cccs1
InChIInChI=1S/C8H10O2S2/c1-2-10-7(9)6-12-8-4-3-5-11-8/h3-5H,2,6H2,1H3
InChIKeyYNUNTAWVARFSQZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-thiophen-2-ylsulfanylacetate

ethyl 2-thiophen-2-ylsulfanylacetate (PubChem CID 15415459) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethyl 2-thiophen-2-ylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-thiophen-2-ylsulfanylacetate
PubChem CID15415459
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Nameethyl 2-thiophen-2-ylsulfanylacetate
SMILESCCOC(=O)CSc1cccs1
InChIInChI=1S/C8H10O2S2/c1-2-10-7(9)6-12-8-4-3-5-11-8/h3-5H,2,6H2,1H3
InChIKeyYNUNTAWVARFSQZ-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Acetyloxypropanesulfonyl)thiophene-2-sulfonamide
CID 15599385
2-(5-Sulfamoylthiophene-2-sulfonyl)ethyl acetate
CID 23274983
(3S)-3-thiophen-2-ylsulfanylbutanoic acid
CID 10176593
O-ethyl 2-thiophen-2-ylsulfonylethanethioate
CID 56668815
2-Methyl-2-thiophen-2-ylsulfanylpropanoic acid
CID 11492144
ethyl (Z)-3-(2-thienylsulfanyl)prop-2-enoate
CID 46906508
Methyl difluoro[(thiophen-2-yl)sulfanyl]acetate
CID 15300892
Ethyl (3-thienylmercapto)acetate
CID 13099962
2-(2-Thienylthio)acetic acid
CID 252625
[Acetyloxy(thiophen-3-yl)-lambda3-iodanyl] acetate
CID 10806152
Methyl 2-(2-thienylthio)acetate
CID 12201118
Acetic acid, (3-thienylthio)-, methyl ester
CID 12209817

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-2-ylsulfanylacetate?
The IUPAC name of ethyl 2-thiophen-2-ylsulfanylacetate (CID 15415459) is ethyl 2-thiophen-2-ylsulfanylacetate.
What is the SMILES notation for ethyl 2-thiophen-2-ylsulfanylacetate?
The canonical SMILES for ethyl 2-thiophen-2-ylsulfanylacetate is CCOC(=O)CSc1cccs1.
What is the InChIKey of ethyl 2-thiophen-2-ylsulfanylacetate?
The InChIKey is YNUNTAWVARFSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-2-10-7(9)6-12-8-4-3-5-11-8/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-thiophen-2-ylsulfanylacetate?
ethyl 2-thiophen-2-ylsulfanylacetate has a molecular weight of 202.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-2-ylsulfanylacetate is sourced from PubChem (CID 15415459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).