[[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene

C25H25ClS2 — CID 15212582

IUPAC[[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene
SMILESCl[C@@H]1CCCC[C@H]1SSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25ClS2/c26-23-18-10-11-19-24(23)27-28-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23-24H,10-11,18-19H2/t23-,24-/m1/s1
InChIKeyZUYGVPDEHWULMN-DNQXCXABSA-N
MW425.06 g/mol
LogP7.91
Rot. Bonds6

About [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene

[[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene (PubChem CID 15212582) has the molecular formula C25H25ClS2 and a molecular weight of 425.06 g/mol. Its IUPAC name is [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene
PubChem CID15212582
Molecular FormulaC25H25ClS2
Molecular Weight425.06 g/mol
Exact Mass424.11
IUPAC Name[[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene
SMILESCl[C@@H]1CCCC[C@H]1SSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25ClS2/c26-23-18-10-11-19-24(23)27-28-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23-24H,10-11,18-19H2/t23-,24-/m1/s1
InChIKeyZUYGVPDEHWULMN-DNQXCXABSA-N
XLogP7.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.06
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene
CID 15212581
(2-chlorocyclohexyl)sulfanylbenzene
CID 12568364
[dichloro-[(1S,2S)-2-chlorocyclohexyl]-λ4-selanyl]benzene
CID 86287464
cis-(1S,2R)-1-chloro-2-(2-nitrophenyl)sulfanylcyclooctane
CID 682620
tert-butylbenzene;cyclohexylbenzene
CID 158089404
9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 123653723
trans-(1R,2R)-1-chloro-2-(trichloromethylsulfanyl)cyclohexane
CID 11587076
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
(1-chloro-2-cyclopentylbutan-2-yl)benzene
CID 82945804
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
[(1S,2S)-2-tert-butylsulfanylcyclohexyl]oxy-diphenylphosphane
CID 16688539
tert-butylbenzene;methanamine;7-thiabicyclo[4.1.0]heptane
CID 174813455

Frequently Asked Questions

What is the IUPAC name of [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene?
The IUPAC name of [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene (CID 15212582) is [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene.
What is the SMILES notation for [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene?
The canonical SMILES for [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene is Cl[C@@H]1CCCC[C@H]1SSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene?
The InChIKey is ZUYGVPDEHWULMN-DNQXCXABSA-N. The full InChI is InChI=1S/C25H25ClS2/c26-23-18-10-11-19-24(23)27-28-25(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17,23-24H,10-11,18-19H2/t23-,24-/m1/s1.
What are the key properties of [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene?
[[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene has a molecular weight of 425.06 g/mol, XLogP of 7.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(1R,2R)-2-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene is sourced from PubChem (CID 15212582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).