1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene

C23H32S2 — CID 134233499

IUPAC1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene
SMILESCC(C)(C)SCc1ccc(CC(C)(C)SCCc2ccccc2)cc1
InChIInChI=1S/C23H32S2/c1-22(2,3)25-18-21-13-11-20(12-14-21)17-23(4,5)24-16-15-19-9-7-6-8-10-19/h6-14H,15-18H2,1-5H3
InChIKeyBVOFYDWFUYDVDB-UHFFFAOYSA-N
MW372.64 g/mol
LogP7.02
Rot. Bonds8

About 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene

1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene (PubChem CID 134233499) has the molecular formula C23H32S2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene.

Molecular Properties

Compound Name1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene
PubChem CID134233499
Molecular FormulaC23H32S2
Molecular Weight372.64 g/mol
Exact Mass372.19
IUPAC Name1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene
SMILESCC(C)(C)SCc1ccc(CC(C)(C)SCCc2ccccc2)cc1
InChIInChI=1S/C23H32S2/c1-22(2,3)25-18-21-13-11-20(12-14-21)17-23(4,5)24-16-15-19-9-7-6-8-10-19/h6-14H,15-18H2,1-5H3
InChIKeyBVOFYDWFUYDVDB-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 66796999
[4-(2-tert-butylsulfanylethyl)phenyl]phosphane
CID 71187940
2-benzylsulfanylpropan-2-ol;hydrobromide
CID 138504401
2-methyl-2-(2-phenylethylsulfanyl)propanoic acid
CID 81228478
(2-ethyl-2-methylbutyl)benzene
CID 123641908
2-(benzyldisulfanyl)ethylbenzene
CID 88836915
[2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene
CID 23432766
3-(tert-butyldisulfanyl)propylbenzene
CID 162715154
1-bromo-3-(tert-butylsulfanylmethyl)benzene
CID 60645629
(3S)-4,4-dimethyl-5-phenylpent-1-yn-3-ol
CID 11665538
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
CID 46185525
[2-methyl-2-[(2-methylpropan-2-yl)oxy]but-3-ynyl]benzene
CID 88755300

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene?
The IUPAC name of 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene (CID 134233499) is 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene.
What is the SMILES notation for 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene?
The canonical SMILES for 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene is CC(C)(C)SCc1ccc(CC(C)(C)SCCc2ccccc2)cc1.
What is the InChIKey of 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene?
The InChIKey is BVOFYDWFUYDVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32S2/c1-22(2,3)25-18-21-13-11-20(12-14-21)17-23(4,5)24-16-15-19-9-7-6-8-10-19/h6-14H,15-18H2,1-5H3.
What are the key properties of 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene?
1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene has a molecular weight of 372.64 g/mol, XLogP of 7.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfanylmethyl)-4-[2-methyl-2-(2-phenylethylsulfanyl)propyl]benzene is sourced from PubChem (CID 134233499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).