acetic acid;methylsulfanylmethylcyclopropane

C7H14O2S — CID 161126326

IUPACacetic acid;methylsulfanylmethylcyclopropane
SMILESCC(=O)O.CSCC1CC1
InChIInChI=1S/C5H10S.C2H4O2/c1-6-4-5-2-3-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4)
InChIKeyULPJMHYYNIEBNG-UHFFFAOYSA-N
MW162.25 g/mol
LogP1.85
Rot. Bonds2

About acetic acid;methylsulfanylmethylcyclopropane

acetic acid;methylsulfanylmethylcyclopropane (PubChem CID 161126326) has the molecular formula C7H14O2S and a molecular weight of 162.25 g/mol. Its IUPAC name is acetic acid;methylsulfanylmethylcyclopropane.

Molecular Properties

Compound Nameacetic acid;methylsulfanylmethylcyclopropane
PubChem CID161126326
Molecular FormulaC7H14O2S
Molecular Weight162.25 g/mol
Exact Mass162.07
IUPAC Nameacetic acid;methylsulfanylmethylcyclopropane
SMILESCC(=O)O.CSCC1CC1
InChIInChI=1S/C5H10S.C2H4O2/c1-6-4-5-2-3-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4)
InChIKeyULPJMHYYNIEBNG-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(methylsulfanylmethyl)cyclohexane-1-carboxylic acid
CID 21085950
acetic acid;ethylcyclopropane
CID 175213909
methylsulfanylmethylcyclohexane;propane
CID 90890228
tert-butyl 4-(methylsulfanylmethyl)piperidine-1-carboxylate
CID 21087276
1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
CID 134254896
3-(methylsulfanylmethyl)cyclobutan-1-ol
CID 155820622
1-ethenyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
CID 130834783
(E)-3-[[4-[(E)-2-acetyl-3-hydroxybut-2-enyl]cyclohexyl]methyl]-4-hydroxypent-3-en-2-one
CID 6993330
acetic acid;bicyclo[2.2.0]hexane;ethane
CID 123577284
1-cyclopropyl-5-methylsulfanylpentan-3-one
CID 105107955
4-[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]-5-phenylpentanoic acid
CID 122016121
2-(cyclopropylmethyl)-3-oxobutanoic acid
CID 135150499

Frequently Asked Questions

What is the IUPAC name of acetic acid;methylsulfanylmethylcyclopropane?
The IUPAC name of acetic acid;methylsulfanylmethylcyclopropane (CID 161126326) is acetic acid;methylsulfanylmethylcyclopropane.
What is the SMILES notation for acetic acid;methylsulfanylmethylcyclopropane?
The canonical SMILES for acetic acid;methylsulfanylmethylcyclopropane is CC(=O)O.CSCC1CC1.
What is the InChIKey of acetic acid;methylsulfanylmethylcyclopropane?
The InChIKey is ULPJMHYYNIEBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S.C2H4O2/c1-6-4-5-2-3-5;1-2(3)4/h5H,2-4H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;methylsulfanylmethylcyclopropane?
acetic acid;methylsulfanylmethylcyclopropane has a molecular weight of 162.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methylsulfanylmethylcyclopropane is sourced from PubChem (CID 161126326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).