potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane

C17H31KO2S2 — CID 161222474

IUPACpotassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane
SMILESCC(=O)SCC1CCCC1.CC(=O)[S-].CCC1CCCC1.[K+]
InChIInChI=1S/C8H14OS.C7H14.C2H4OS.K/c1-7(9)10-6-8-4-2-3-5-8;1-2-7-5-3-4-6-7;1-2(3)4;/h8H,2-6H2,1H3;7H,2-6H2,1H3;1H3,(H,3,4);/q;;;+1/p-1
InChIKeyUXRUWDSOMBYOCW-UHFFFAOYSA-M
MW370.67 g/mol
LogP2.13
Rot. Bonds3

About potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane

potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane (PubChem CID 161222474) has the molecular formula C17H31KO2S2 and a molecular weight of 370.67 g/mol. Its IUPAC name is potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane.

Molecular Properties

Compound Namepotassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane
PubChem CID161222474
Molecular FormulaC17H31KO2S2
Molecular Weight370.67 g/mol
Exact Mass370.14
IUPAC Namepotassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane
SMILESCC(=O)SCC1CCCC1.CC(=O)[S-].CCC1CCCC1.[K+]
InChIInChI=1S/C8H14OS.C7H14.C2H4OS.K/c1-7(9)10-6-8-4-2-3-5-8;1-2-7-5-3-4-6-7;1-2(3)4;/h8H,2-6H2,1H3;7H,2-6H2,1H3;1H3,(H,3,4);/q;;;+1/p-1
InChIKeyUXRUWDSOMBYOCW-UHFFFAOYSA-M
XLogP2.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

S-(oxan-3-ylmethyl) ethanethioate
CID 131173361
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
ethane;bis(ethylcyclopentane)
CID 158911237
chromium;bis(ethylcyclopentane)
CID 91996240
ethylcycloheptane;2-methylprop-2-enoic acid
CID 68583536
CID 140734890
CID 140734890
acetic acid;ethylcyclopropane
CID 175213909
ethylcyclopentane;methanamine
CID 142068671
magnesium;carbanide;bis(ethylcyclopentane)
CID 121233150
carbanide;bis(ethylcyclopentane);tungsten dihydride
CID 164887185

Frequently Asked Questions

What is the IUPAC name of potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane?
The IUPAC name of potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane (CID 161222474) is potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane.
What is the SMILES notation for potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane?
The canonical SMILES for potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane is CC(=O)SCC1CCCC1.CC(=O)[S-].CCC1CCCC1.[K+].
What is the InChIKey of potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane?
The InChIKey is UXRUWDSOMBYOCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14OS.C7H14.C2H4OS.K/c1-7(9)10-6-8-4-2-3-5-8;1-2-7-5-3-4-6-7;1-2(3)4;/h8H,2-6H2,1H3;7H,2-6H2,1H3;1H3,(H,3,4);/q;;;+1/p-1.
What are the key properties of potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane?
potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane has a molecular weight of 370.67 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;S-(cyclopentylmethyl) ethanethioate;ethanethioate;ethylcyclopentane is sourced from PubChem (CID 161222474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).