ethyl (2Z)-2-(thiolan-2-ylidene)acetate

C8H12O2S — CID 14960020

IUPACethyl (2Z)-2-(thiolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCCS1
InChIInChI=1S/C8H12O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h6H,2-5H2,1H3/b7-6-
InChIKeyMTRUCEFNEDDONN-SREVYHEPSA-N
MW172.25 g/mol
LogP1.96
Rot. Bonds2

About ethyl (2Z)-2-(thiolan-2-ylidene)acetate

ethyl (2Z)-2-(thiolan-2-ylidene)acetate (PubChem CID 14960020) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is ethyl (2Z)-2-(thiolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(thiolan-2-ylidene)acetate
PubChem CID14960020
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Nameethyl (2Z)-2-(thiolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1/CCCS1
InChIInChI=1S/C8H12O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h6H,2-5H2,1H3/b7-6-
InChIKeyMTRUCEFNEDDONN-SREVYHEPSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
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ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl (2E)-2-cyclohex-2-en-1-ylideneacetate
CID 11513807
2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane
CID 159790396
ethyl (2Z)-2-cyclopent-2-en-1-ylideneacetate
CID 100915325
ethyl 2-(1,1-dihydroxythian-4-ylidene)acetate
CID 130201775
ethyl 2-(oxolan-3-ylidene)acetate
CID 123997047
ethyl 2-pyrrolidin-3-ylideneacetate;hydrochloride
CID 171369976
ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
CID 59395234
ethyl 2-(1,1-dihydroxythietan-3-ylidene)acetate
CID 130201757
ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(thiolan-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(thiolan-2-ylidene)acetate (CID 14960020) is ethyl (2Z)-2-(thiolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(thiolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(thiolan-2-ylidene)acetate is CCOC(=O)/C=C1/CCCS1.
What is the InChIKey of ethyl (2Z)-2-(thiolan-2-ylidene)acetate?
The InChIKey is MTRUCEFNEDDONN-SREVYHEPSA-N. The full InChI is InChI=1S/C8H12O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h6H,2-5H2,1H3/b7-6-.
What are the key properties of ethyl (2Z)-2-(thiolan-2-ylidene)acetate?
ethyl (2Z)-2-(thiolan-2-ylidene)acetate has a molecular weight of 172.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(thiolan-2-ylidene)acetate is sourced from PubChem (CID 14960020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).