cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione

C13H22S3 — CID 154121728

IUPACcyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione
SMILESCC1CCC(SC(=S)SC2CCCCC2)C1
InChIInChI=1S/C13H22S3/c1-10-7-8-12(9-10)16-13(14)15-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3
InChIKeyYLUZAVWOJGNLMK-UHFFFAOYSA-N
MW274.52 g/mol
LogP5.26
Rot. Bonds2

About cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione

cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione (PubChem CID 154121728) has the molecular formula C13H22S3 and a molecular weight of 274.52 g/mol. Its IUPAC name is cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione.

Molecular Properties

Compound Namecyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione
PubChem CID154121728
Molecular FormulaC13H22S3
Molecular Weight274.52 g/mol
Exact Mass274.09
IUPAC Namecyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione
SMILESCC1CCC(SC(=S)SC2CCCCC2)C1
InChIInChI=1S/C13H22S3/c1-10-7-8-12(9-10)16-13(14)15-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3
InChIKeyYLUZAVWOJGNLMK-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,3S)-1,3-dimethylcyclooctane
CID 6427537
1,3,5-trimethylcyclododecane
CID 123355776
cycloheptyl-(3-methylcyclopentyl)methanone
CID 82931083
1-ethylsulfanyl-3-methylcyclopentane
CID 91268071
(3R)-1,3-dimethylcyclopentane
CID 13119651
cyclobutane;ethane;methylcyclopropane
CID 143875535
1,3,6,8-tetramethylcyclodecane
CID 162455053
methylcyclopentane;propane-2-thione
CID 143471637
(1S)-3-methylcyclopentadecan-1-ol
CID 177450802
3-methylcyclononan-1-ol
CID 143603449
(3S)-3-methyl-2,3,4,4a,5,6,7,8,9,10,11,11a-dodecahydro-1H-benzo[9]annulene
CID 163642160
cyclohexylsulfanylformic acid
CID 57292109

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione?
The IUPAC name of cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione (CID 154121728) is cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione.
What is the SMILES notation for cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione?
The canonical SMILES for cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione is CC1CCC(SC(=S)SC2CCCCC2)C1.
What is the InChIKey of cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione?
The InChIKey is YLUZAVWOJGNLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22S3/c1-10-7-8-12(9-10)16-13(14)15-11-5-3-2-4-6-11/h10-12H,2-9H2,1H3.
What are the key properties of cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione?
cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione has a molecular weight of 274.52 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfanyl-(3-methylcyclopentyl)sulfanylmethanethione is sourced from PubChem (CID 154121728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).