ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate

C7H9NO2S2 — CID 151917928

IUPACethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)Cn1ccsc1=S
InChIInChI=1S/C7H9NO2S2/c1-2-10-6(9)5-8-3-4-12-7(8)11/h3-4H,2,5H2,1H3
InChIKeySWDQNNAGGKNTGV-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.84
Rot. Bonds3

About ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate

ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate (PubChem CID 151917928) has the molecular formula C7H9NO2S2 and a molecular weight of 203.29 g/mol. Its IUPAC name is ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate
PubChem CID151917928
Molecular FormulaC7H9NO2S2
Molecular Weight203.29 g/mol
Exact Mass203.01
IUPAC Nameethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate
SMILESCCOC(=O)Cn1ccsc1=S
InChIInChI=1S/C7H9NO2S2/c1-2-10-6(9)5-8-3-4-12-7(8)11/h3-4H,2,5H2,1H3
InChIKeySWDQNNAGGKNTGV-UHFFFAOYSA-N
XLogP1.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Delta4-Thiazolin-3-yl-essigsaureathylester
CID 129630105
4-Amino-3-ethoxycarbonylmethyl-thiazolin-2-thione
CID 129648316
Ethyl 2-fluoro-2-(2-oxo-1,3-thiazol-3-yl)acetate
CID 81296787
Ukcfsolmckxvld-uhfffaoysa-
CID 23256809
methyl 2-(2H-1,3-thiazol-3-yl)acetate
CID 21760629
Ethyl 2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)acetate
CID 54082984
Methyl 2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)acetate
CID 54237991
2-(4-Hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl acetate
CID 57234222
ethyl 2-(2H-1,3-thiazol-3-yl)propanoate
CID 140108167
Ethyl 2-(2,3-dihydro-1,3-thiazol-3-ium-3-yl)acetate bromide
CID 151106593
methyl 2-(2H-1,3-thiazol-3-yl)acetate;hydrobromide
CID 173084083
2-(2H-1,3-thiazol-3-yl)ethyl acetate;dihydrochloride
CID 174286433

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate?
The IUPAC name of ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate (CID 151917928) is ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate is CCOC(=O)Cn1ccsc1=S.
What is the InChIKey of ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate?
The InChIKey is SWDQNNAGGKNTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S2/c1-2-10-6(9)5-8-3-4-12-7(8)11/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate?
ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate has a molecular weight of 203.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-sulfanylidene-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 151917928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).