cyclopropylmethyl 3-sulfanylpropanoate

C7H12O2S — CID 107018207

IUPACcyclopropylmethyl 3-sulfanylpropanoate
SMILESO=C(CCS)OCC1CC1
InChIInChI=1S/C7H12O2S/c8-7(3-4-10)9-5-6-1-2-6/h6,10H,1-5H2
InChIKeyBGVSTLUFXDIQPG-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.26
Rot. Bonds4

About cyclopropylmethyl 3-sulfanylpropanoate

cyclopropylmethyl 3-sulfanylpropanoate (PubChem CID 107018207) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is cyclopropylmethyl 3-sulfanylpropanoate.

Molecular Properties

Compound Namecyclopropylmethyl 3-sulfanylpropanoate
PubChem CID107018207
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Namecyclopropylmethyl 3-sulfanylpropanoate
SMILESO=C(CCS)OCC1CC1
InChIInChI=1S/C7H12O2S/c8-7(3-4-10)9-5-6-1-2-6/h6,10H,1-5H2
InChIKeyBGVSTLUFXDIQPG-UHFFFAOYSA-N
XLogP1.26
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[4-(pentanoyloxymethyl)cyclohexyl]methyl pentanoate
CID 101298142
[4-(hexanoyloxymethyl)cyclohexyl]methyl hexanoate
CID 101298146
cyclopropylmethyl 3-oxobutanoate
CID 10012135
cyclopropylmethyl 3-oxopropanoate
CID 174157836
bis[[4-(prop-2-enoxymethyl)cyclohexyl]methyl] pentanedioate
CID 101035077
[4-[3-[3-(dimethylamino)propyl-methylamino]propanoyloxymethyl]cyclohexyl]methyl butanoate
CID 23596952
ethyl 3-sulfanylpropanoate
CID 21625
CID 132595858
CID 132595858
propane;3-sulfanylpropanoyloxymethyl 3-sulfanylpropanoate
CID 88805997
cyclopropylmethyl acetate
CID 538333
cyclopropylmethyl carbonochloridate
CID 15917591
2-[3-[3-[(2-methyloxan-4-yl)methoxy]-3-oxopropyl]sulfanylpropanoyloxy]ethyl 3-sulfanylpropanoate
CID 167130799

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 3-sulfanylpropanoate?
The IUPAC name of cyclopropylmethyl 3-sulfanylpropanoate (CID 107018207) is cyclopropylmethyl 3-sulfanylpropanoate.
What is the SMILES notation for cyclopropylmethyl 3-sulfanylpropanoate?
The canonical SMILES for cyclopropylmethyl 3-sulfanylpropanoate is O=C(CCS)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 3-sulfanylpropanoate?
The InChIKey is BGVSTLUFXDIQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c8-7(3-4-10)9-5-6-1-2-6/h6,10H,1-5H2.
What are the key properties of cyclopropylmethyl 3-sulfanylpropanoate?
cyclopropylmethyl 3-sulfanylpropanoate has a molecular weight of 160.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 3-sulfanylpropanoate is sourced from PubChem (CID 107018207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).