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

C24H23ClS2 — CID 15212581

IUPAC[[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene
SMILESCl[C@@H]1CCC[C@H]1SSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23ClS2/c25-22-17-10-18-23(22)26-27-24(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22-23H,10,17-18H2/t22-,23-/m1/s1
InChIKeyFPAXQDFKFCUEAB-DHIUTWEWSA-N
MW411.04 g/mol
LogP7.52
Rot. Bonds6

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

[[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene (PubChem CID 15212581) has the molecular formula C24H23ClS2 and a molecular weight of 411.04 g/mol. Its IUPAC name is [[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene
PubChem CID15212581
Molecular FormulaC24H23ClS2
Molecular Weight411.04 g/mol
Exact Mass410.09
IUPAC Name[[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene
SMILESCl[C@@H]1CCC[C@H]1SSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23ClS2/c25-22-17-10-18-23(22)26-27-24(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22-23H,10,17-18H2/t22-,23-/m1/s1
InChIKeyFPAXQDFKFCUEAB-DHIUTWEWSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.04
LogP ≤ 57.52
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-chlorocyclohexyl]disulfanyl]-diphenylmethyl]benzene
CID 15212582
(2-chlorocyclohexyl)sulfanylbenzene
CID 12568364
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
bicyclo[2.2.0]hexane;tert-butylbenzene
CID 174393348
6-(2-phenylpropan-2-yl)bicyclo[3.1.0]hexan-6-ol
CID 79331247
(1-cyclobutyl-3-cyclopropyl-2-methylpropan-2-yl)benzene
CID 57172293
trans-(1R,2R)-1-chloro-2-(trichloromethylsulfanyl)cyclohexane
CID 11587076
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
benzene;cyclopropylbenzene
CID 144638417
tert-butylbenzene;chloromethane;ethane
CID 91149652

Frequently Asked Questions

What is the IUPAC name of [[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene?
The IUPAC name of [[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene (CID 15212581) is [[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene.
What is the SMILES notation for [[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene?
The canonical SMILES for [[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene is Cl[C@@H]1CCC[C@H]1SSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene?
The InChIKey is FPAXQDFKFCUEAB-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H23ClS2/c25-22-17-10-18-23(22)26-27-24(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16,22-23H,10,17-18H2/t22-,23-/m1/s1.
What are the key properties of [[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene?
[[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene has a molecular weight of 411.04 g/mol, XLogP of 7.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(1R,2R)-2-chlorocyclopentyl]disulfanyl]-diphenylmethyl]benzene is sourced from PubChem (CID 15212581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).