ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate

C10H16O2S — CID 176838289

IUPACethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2CCCS2)CC1
InChIInChI=1S/C10H16O2S/c1-2-12-9(11)10(5-6-10)8-4-3-7-13-8/h8H,2-7H2,1H3
InChIKeyWIIOMWFUCLVFGV-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.23
Rot. Bonds3

About ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate

ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate (PubChem CID 176838289) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
PubChem CID176838289
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Nameethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C2CCCS2)CC1
InChIInChI=1S/C10H16O2S/c1-2-12-9(11)10(5-6-10)8-4-3-7-13-8/h8H,2-7H2,1H3
InChIKeyWIIOMWFUCLVFGV-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
CID 176838382
ethyl 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
CID 131964099
ethyl 2-oxo-3-(thiolan-2-yl)propanoate
CID 46863587
ethyl 1-(4-methyl-1,3-dioxetan-2-yl)cyclopropane-1-carboxylate
CID 67962947
ethyl 2-oxo-4-(thiolan-2-yl)butanoate
CID 15373449
ethyl N-amino-N-(thiolan-2-yl)carbamate
CID 57324412
ethyl (3aS,7aS)-3,4,5,6,7,7a-hexahydro-2H-1-benzofuran-3a-carboxylate
CID 125042073
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl 2-methylbicyclo[2.2.1]heptane-1-carboxylate
CID 154478235
ethyl 2-methyl-1,3-dithiane-2-carboxylate
CID 13497642
CID 154629380
CID 154629380
ethyl (3aR,6aS)-2-ethoxy-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-carboxylate
CID 11746379

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate (CID 176838289) is ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(C2CCCS2)CC1.
What is the InChIKey of ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is WIIOMWFUCLVFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-2-12-9(11)10(5-6-10)8-4-3-7-13-8/h8H,2-7H2,1H3.
What are the key properties of ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate?
ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 200.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 176838289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).