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

C9H14O2S — CID 176838382

IUPACmethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2CCCS2)CC1
InChIInChI=1S/C9H14O2S/c1-11-8(10)9(4-5-9)7-3-2-6-12-7/h7H,2-6H2,1H3
InChIKeyFTAPUKHHRGIWCT-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.84
Rot. Bonds2

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

methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate (PubChem CID 176838382) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
PubChem CID176838382
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Namemethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2CCCS2)CC1
InChIInChI=1S/C9H14O2S/c1-11-8(10)9(4-5-9)7-3-2-6-12-7/h7H,2-6H2,1H3
InChIKeyFTAPUKHHRGIWCT-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate
CID 176838289
methyl 2-(thian-2-yl)pyrrolidine-2-carboxylate
CID 115103266
methyl 1-(thiolan-3-yl)cyclopropane-1-carboxylate
CID 176838404
methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
CID 124547745
methyl 2-methyl-3-(propan-2-ylamino)thiane-3-carboxylate
CID 79951445
lithium;2-chlorothiolane;1-(1,1-dioxothiolan-2-yl)cyclohexane-1-carboxylic acid;2-(1-isocyanatocyclohexyl)thiolane 1,1-dioxide;methane;methyl cyclohexanecarboxylate;methyl 1-(1,1-dioxothiolan-2-yl)cyclohexane-1-carboxylate;methyl 1-(thiolan-2-yl)cyclohexane-1-carboxylate;hydroxide
CID 159433072
methyl 2-methyl-4-(thiolan-2-yl)pyrrolidine-2-carboxylate
CID 117269988
methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
2-methyl-2-(thiolan-2-yl)pyrrolidine
CID 105434982
methyl (2R)-2-hydroxythiane-3-carboxylate
CID 91082425
2-(methoxymethyl)-2-(thiolan-2-yl)piperidine
CID 117271997
methyl 3-cyclohexyl-7,8-dioxatricyclo[4.1.1.01,6]octane-3-carboxylate
CID 87200807

Frequently Asked Questions

What is the IUPAC name of methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate (CID 176838382) is methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(C2CCCS2)CC1.
What is the InChIKey of methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is FTAPUKHHRGIWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-11-8(10)9(4-5-9)7-3-2-6-12-7/h7H,2-6H2,1H3.
What are the key properties of methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate?
methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 186.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(thiolan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 176838382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).