(2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol

C12H24S — CID 155010524

IUPAC(2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol
SMILESCCC1CCCC1C[C@@H](S)C(C)C
InChIInChI=1S/C12H24S/c1-4-10-6-5-7-11(10)8-12(13)9(2)3/h9-13H,4-8H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyCTXCIHPULJVAHN-HTAVTVPLSA-N
MW200.39 g/mol
LogP4.16
Rot. Bonds4

About (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol

(2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol (PubChem CID 155010524) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol.

Molecular Properties

Compound Name(2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol
PubChem CID155010524
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Name(2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol
SMILESCCC1CCCC1C[C@@H](S)C(C)C
InChIInChI=1S/C12H24S/c1-4-10-6-5-7-11(10)8-12(13)9(2)3/h9-13H,4-8H2,1-3H3/t10?,11?,12-/m1/s1
InChIKeyCTXCIHPULJVAHN-HTAVTVPLSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol?
The IUPAC name of (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol (CID 155010524) is (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol.
What is the SMILES notation for (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol?
The canonical SMILES for (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol is CCC1CCCC1C[C@@H](S)C(C)C.
What is the InChIKey of (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol?
The InChIKey is CTXCIHPULJVAHN-HTAVTVPLSA-N. The full InChI is InChI=1S/C12H24S/c1-4-10-6-5-7-11(10)8-12(13)9(2)3/h9-13H,4-8H2,1-3H3/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol?
(2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol has a molecular weight of 200.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylcyclopentyl)-3-methylbutane-2-thiol is sourced from PubChem (CID 155010524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).