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

C9H14O2S — CID 176838311

IUPACmethyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C1CCCS1
InChIInChI=1S/C9H14O2S/c1-11-9(10)7-5-6(7)8-3-2-4-12-8/h6-8H,2-5H2,1H3
InChIKeySRWZBLZHVYCPAN-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.69
Rot. Bonds2

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

methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate (PubChem CID 176838311) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate
PubChem CID176838311
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Namemethyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C1CCCS1
InChIInChI=1S/C9H14O2S/c1-11-9(10)7-5-6(7)8-3-2-4-12-8/h6-8H,2-5H2,1H3
InChIKeySRWZBLZHVYCPAN-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate (CID 176838311) is methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate is COC(=O)C1CC1C1CCCS1.
What is the InChIKey of methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is SRWZBLZHVYCPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-11-9(10)7-5-6(7)8-3-2-4-12-8/h6-8H,2-5H2,1H3.
What are the key properties of methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate?
methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 186.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiolan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 176838311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).