ethyl 2-thiophen-3-ylsulfanylacetate

C8H10O2S2 — CID 13099962

IUPACethyl 2-thiophen-3-ylsulfanylacetate
SMILESCCOC(=O)CSc1ccsc1
InChIInChI=1S/C8H10O2S2/c1-2-10-8(9)6-12-7-3-4-11-5-7/h3-5H,2,6H2,1H3
InChIKeyYAFZNNFLDOMMOF-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.40
Rot. Bonds4

About ethyl 2-thiophen-3-ylsulfanylacetate

ethyl 2-thiophen-3-ylsulfanylacetate (PubChem CID 13099962) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is ethyl 2-thiophen-3-ylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-thiophen-3-ylsulfanylacetate
PubChem CID13099962
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Nameethyl 2-thiophen-3-ylsulfanylacetate
SMILESCCOC(=O)CSc1ccsc1
InChIInChI=1S/C8H10O2S2/c1-2-10-8(9)6-12-7-3-4-11-5-7/h3-5H,2,6H2,1H3
InChIKeyYAFZNNFLDOMMOF-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

2-Methyl-2-thiophen-2-ylsulfanylpropanoic acid
CID 11492144
ethyl (Z)-3-(2-thienylsulfanyl)prop-2-enoate
CID 46906508
Ethyl 2-(thiophen-2-ylthio)acetate
CID 15415459
Methyl difluoro[(thiophen-2-yl)sulfanyl]acetate
CID 15300892
(3-Thienylsulfanyl)acetic acid
CID 235401
[Acetyloxy(thiophen-3-yl)-lambda3-iodanyl] acetate
CID 10806152
Methyl 2-(2-thienylthio)acetate
CID 12201118
Acetic acid, (3-thienylthio)-, methyl ester
CID 12209817
Ethyl 3-(thiophen-3-yl)prop-2-ynoate
CID 14665121
3-[(2,2-Diethoxyethyl)sulfanyl]thiophene
CID 44208697
2-(3-Thienylthio)butyric acid
CID 129802066
Methyl 3-(5-fluorothiophen-3-yl)sulfanylpropanoate
CID 156530854

Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-3-ylsulfanylacetate?
The IUPAC name of ethyl 2-thiophen-3-ylsulfanylacetate (CID 13099962) is ethyl 2-thiophen-3-ylsulfanylacetate.
What is the SMILES notation for ethyl 2-thiophen-3-ylsulfanylacetate?
The canonical SMILES for ethyl 2-thiophen-3-ylsulfanylacetate is CCOC(=O)CSc1ccsc1.
What is the InChIKey of ethyl 2-thiophen-3-ylsulfanylacetate?
The InChIKey is YAFZNNFLDOMMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-2-10-8(9)6-12-7-3-4-11-5-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-thiophen-3-ylsulfanylacetate?
ethyl 2-thiophen-3-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-3-ylsulfanylacetate is sourced from PubChem (CID 13099962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).