(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione

C22H38S — CID 59938766

IUPAC(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione
SMILESCC1CCC(CC2CCC(C(=S)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H38S/c1-16-3-7-18(8-4-16)15-19-9-13-21(14-10-19)22(23)20-11-5-17(2)6-12-20/h16-21H,3-15H2,1-2H3
InChIKeyVPODAMCOXDOOCC-UHFFFAOYSA-N
MW334.61 g/mol
LogP7.21
Rot. Bonds4

About (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione

(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione (PubChem CID 59938766) has the molecular formula C22H38S and a molecular weight of 334.61 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione
PubChem CID59938766
Molecular FormulaC22H38S
Molecular Weight334.61 g/mol
Exact Mass334.27
IUPAC Name(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione
SMILESCC1CCC(CC2CCC(C(=S)C3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H38S/c1-16-3-7-18(8-4-16)15-19-9-13-21(14-10-19)22(23)20-11-5-17(2)6-12-20/h16-21H,3-15H2,1-2H3
InChIKeyVPODAMCOXDOOCC-UHFFFAOYSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.61
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione 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

methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
2-[4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexyl]ethanol
CID 59931224
1-methyl-4-[[4-[(2E)-5-methylhexa-2,4-dien-2-yl]cyclohexyl]methyl]cyclohexane
CID 145066119
1-[(4-ethylcyclohexyl)methyl]-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexane;methane
CID 160789108
1-(cyclohexylmethyl)-4-methylcyclohexane;ethane;methylcyclohexane
CID 142912938
2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
CID 20710011
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
1-[(3-ethylcyclobutyl)methyl]-4-methylcyclohexane
CID 147298392
1-(2,2-difluoroethenyl)-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 138493538
1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol
CID 59969086

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione?
The IUPAC name of (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione (CID 59938766) is (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione.
What is the SMILES notation for (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione?
The canonical SMILES for (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione is CC1CCC(CC2CCC(C(=S)C3CCC(C)CC3)CC2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione?
The InChIKey is VPODAMCOXDOOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38S/c1-16-3-7-18(8-4-16)15-19-9-13-21(14-10-19)22(23)20-11-5-17(2)6-12-20/h16-21H,3-15H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione?
(4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione has a molecular weight of 334.61 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methanethione is sourced from PubChem (CID 59938766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).