dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane

C28H40GeS2 — CID 177193772

IUPACdicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane
SMILESCc1ccc(SC[Ge](CSc2ccc(C)cc2)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H40GeS2/c1-23-13-17-27(18-14-23)30-21-29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)22-31-28-19-15-24(2)16-20-28/h13-20,25-26H,3-12,21-22H2,1-2H3
InChIKeySWKBLEVCMOJGBY-UHFFFAOYSA-N
MW513.37 g/mol
LogP9.38
Rot. Bonds8

About dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane

dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane (PubChem CID 177193772) has the molecular formula C28H40GeS2 and a molecular weight of 513.37 g/mol. Its IUPAC name is dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane.

Molecular Properties

Compound Namedicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane
PubChem CID177193772
Molecular FormulaC28H40GeS2
Molecular Weight513.37 g/mol
Exact Mass514.18
IUPAC Namedicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane
SMILESCc1ccc(SC[Ge](CSc2ccc(C)cc2)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H40GeS2/c1-23-13-17-27(18-14-23)30-21-29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)22-31-28-19-15-24(2)16-20-28/h13-20,25-26H,3-12,21-22H2,1-2H3
InChIKeySWKBLEVCMOJGBY-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.37
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane 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

1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
N-cyclohexyl-2-(4-methylphenyl)sulfanylacetamide
CID 846420
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
1-cyclopropyl-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066361
2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
1-dicyclohexylphosphorylsulfanyl-4-methylbenzene
CID 154722152
(1R,2R,5S,6S)-2,6-bis[(4-methylphenyl)sulfanylmethyl]bicyclo[3.3.1]nonane
CID 124776144
1-methyl-4-[(4-methylphenyl)sulfanylmethylsulfanylmethylsulfanyl]benzene
CID 71336749
ethane;1-ethylsulfanyl-4-methylbenzene
CID 142940651
2-[cyclopentyl-[2-(4-methylphenyl)sulfanylethyl]amino]ethanol
CID 62014088
2-[(4-methylphenyl)sulfanylmethyl]thiirane
CID 12586379

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane?
The IUPAC name of dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane (CID 177193772) is dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane.
What is the SMILES notation for dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane?
The canonical SMILES for dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane is Cc1ccc(SC[Ge](CSc2ccc(C)cc2)(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane?
The InChIKey is SWKBLEVCMOJGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40GeS2/c1-23-13-17-27(18-14-23)30-21-29(25-9-5-3-6-10-25,26-11-7-4-8-12-26)22-31-28-19-15-24(2)16-20-28/h13-20,25-26H,3-12,21-22H2,1-2H3.
What are the key properties of dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane?
dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane has a molecular weight of 513.37 g/mol, XLogP of 9.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-bis[(4-methylphenyl)sulfanylmethyl]germane is sourced from PubChem (CID 177193772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).