1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene

C24H26S3 — CID 10024575

IUPAC1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene
SMILESCc1ccc(SC(Sc2ccc(C)cc2)[C@@H](C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C24H26S3/c1-17-5-11-21(12-6-17)25-20(4)24(26-22-13-7-18(2)8-14-22)27-23-15-9-19(3)10-16-23/h5-16,20,24H,1-4H3/t20-/m1/s1
InChIKeyJFYOECLLTJHRGW-HXUWFJFHSA-N
MW410.67 g/mol
LogP8.00
Rot. Bonds7

About 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene

1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene (PubChem CID 10024575) has the molecular formula C24H26S3 and a molecular weight of 410.67 g/mol. Its IUPAC name is 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene.

Molecular Properties

Compound Name1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene
PubChem CID10024575
Molecular FormulaC24H26S3
Molecular Weight410.67 g/mol
Exact Mass410.12
IUPAC Name1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene
SMILESCc1ccc(SC(Sc2ccc(C)cc2)[C@@H](C)Sc2ccc(C)cc2)cc1
InChIInChI=1S/C24H26S3/c1-17-5-11-21(12-6-17)25-20(4)24(26-22-13-7-18(2)8-14-22)27-23-15-9-19(3)10-16-23/h5-16,20,24H,1-4H3/t20-/m1/s1
InChIKeyJFYOECLLTJHRGW-HXUWFJFHSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.67
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylphenyl)sulfanylbutan-2-ol
CID 14194463
N-methyl-3-(4-methylphenyl)sulfanylbutan-2-amine
CID 64620449
(2R)-2-hydroxy-3-(4-methylphenyl)sulfanylbutanamide
CID 131851094
bis[(4-methylphenyl)sulfanyl]methylsilane
CID 175428448
(2S)-2-(4-methylphenyl)sulfanylpropanal
CID 10352285
2-(4-methylphenyl)sulfanylpropanal
CID 10081010
1-(4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64621620
1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64620441
1-(4-methylphenyl)sulfanylethane-1,2-diol
CID 71411750
2,2-difluoro-1-(4-methylphenyl)sulfanylethanol
CID 175591763
1-methyl-4-octan-2-ylsulfanylbenzene
CID 14067707
1,1-bis[(4-methylphenyl)sulfanyl]octan-2-ol
CID 13312351

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene?
The IUPAC name of 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene (CID 10024575) is 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene.
What is the SMILES notation for 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene?
The canonical SMILES for 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene is Cc1ccc(SC(Sc2ccc(C)cc2)[C@@H](C)Sc2ccc(C)cc2)cc1.
What is the InChIKey of 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene?
The InChIKey is JFYOECLLTJHRGW-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26S3/c1-17-5-11-21(12-6-17)25-20(4)24(26-22-13-7-18(2)8-14-22)27-23-15-9-19(3)10-16-23/h5-16,20,24H,1-4H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene?
1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene has a molecular weight of 410.67 g/mol, XLogP of 8.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1,1-bis[(4-methylphenyl)sulfanyl]propan-2-yl]sulfanyl-4-methylbenzene is sourced from PubChem (CID 10024575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).