methyl 1-ethylsulfanylcyclobutane-1-carboxylate

C8H14O2S — CID 117035078

IUPACmethyl 1-ethylsulfanylcyclobutane-1-carboxylate
SMILESCCSC1(C(=O)OC)CCC1
InChIInChI=1S/C8H14O2S/c1-3-11-8(5-4-6-8)7(9)10-2/h3-6H2,1-2H3
InChIKeyWVNSCSFYHWBYTR-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.84
Rot. Bonds3

About methyl 1-ethylsulfanylcyclobutane-1-carboxylate

methyl 1-ethylsulfanylcyclobutane-1-carboxylate (PubChem CID 117035078) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is methyl 1-ethylsulfanylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethylsulfanylcyclobutane-1-carboxylate
PubChem CID117035078
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Namemethyl 1-ethylsulfanylcyclobutane-1-carboxylate
SMILESCCSC1(C(=O)OC)CCC1
InChIInChI=1S/C8H14O2S/c1-3-11-8(5-4-6-8)7(9)10-2/h3-6H2,1-2H3
InChIKeyWVNSCSFYHWBYTR-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(4-methoxyphenyl)methylsulfanyl]cyclopentane-1-carboxylate
CID 15814381
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
methyl 1-(3-chlorophenyl)sulfanylcyclobutane-1-carboxylate
CID 117035077
methyl 1-(4-bromophenyl)sulfanylcyclobutane-1-carboxylate
CID 117035058
methyl 1-propan-2-ylsulfanylcyclopropane-1-carboxylate
CID 117035118
4-ethyl-1-ethylsulfanylcyclohexane-1-carboxylic acid
CID 114989210
methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
CID 43811188
methyl 1-(5-bromothiophen-2-yl)sulfanylcyclobutane-1-carboxylate
CID 117035075
methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 1-[2-(1-aminocyclopropyl)ethyl]cyclopropane-1-carboxylate
CID 105440618
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
1-(2-ethoxy-2-oxoethyl)sulfanylcyclopentane-1-carboxylic acid
CID 114993494

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethylsulfanylcyclobutane-1-carboxylate?
The IUPAC name of methyl 1-ethylsulfanylcyclobutane-1-carboxylate (CID 117035078) is methyl 1-ethylsulfanylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-ethylsulfanylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-ethylsulfanylcyclobutane-1-carboxylate is CCSC1(C(=O)OC)CCC1.
What is the InChIKey of methyl 1-ethylsulfanylcyclobutane-1-carboxylate?
The InChIKey is WVNSCSFYHWBYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-11-8(5-4-6-8)7(9)10-2/h3-6H2,1-2H3.
What are the key properties of methyl 1-ethylsulfanylcyclobutane-1-carboxylate?
methyl 1-ethylsulfanylcyclobutane-1-carboxylate has a molecular weight of 174.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethylsulfanylcyclobutane-1-carboxylate is sourced from PubChem (CID 117035078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).