2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol

C12H24S2 — CID 143481598

IUPAC2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol
SMILESCCC1CC(C)CC1(S)C(C)(S)CC
InChIInChI=1S/C12H24S2/c1-5-10-7-9(3)8-12(10,14)11(4,13)6-2/h9-10,13-14H,5-8H2,1-4H3
InChIKeySWNMNZLQJSXWBK-UHFFFAOYSA-N
MW232.46 g/mol
LogP4.21
Rot. Bonds3

About 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol

2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol (PubChem CID 143481598) has the molecular formula C12H24S2 and a molecular weight of 232.46 g/mol. Its IUPAC name is 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol.

Molecular Properties

Compound Name2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol
PubChem CID143481598
Molecular FormulaC12H24S2
Molecular Weight232.46 g/mol
Exact Mass232.13
IUPAC Name2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol
SMILESCCC1CC(C)CC1(S)C(C)(S)CC
InChIInChI=1S/C12H24S2/c1-5-10-7-9(3)8-12(10,14)11(4,13)6-2/h9-10,13-14H,5-8H2,1-4H3
InChIKeySWNMNZLQJSXWBK-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol?
The IUPAC name of 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol (CID 143481598) is 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol.
What is the SMILES notation for 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol?
The canonical SMILES for 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol is CCC1CC(C)CC1(S)C(C)(S)CC.
What is the InChIKey of 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol?
The InChIKey is SWNMNZLQJSXWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S2/c1-5-10-7-9(3)8-12(10,14)11(4,13)6-2/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol?
2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol has a molecular weight of 232.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-1-(2-sulfanylbutan-2-yl)cyclopentane-1-thiol is sourced from PubChem (CID 143481598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).