[2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene

C13H20S2 — CID 23432766

IUPAC[2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene
SMILESCSCC(C)(CSC)Cc1ccccc1
InChIInChI=1S/C13H20S2/c1-13(10-14-2,11-15-3)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyIDDLYUWOEHZZNB-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.96
Rot. Bonds6

About [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene

[2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene (PubChem CID 23432766) has the molecular formula C13H20S2 and a molecular weight of 240.44 g/mol. Its IUPAC name is [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene.

Molecular Properties

Compound Name[2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene
PubChem CID23432766
Molecular FormulaC13H20S2
Molecular Weight240.44 g/mol
Exact Mass240.10
IUPAC Name[2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene
SMILESCSCC(C)(CSC)Cc1ccccc1
InChIInChI=1S/C13H20S2/c1-13(10-14-2,11-15-3)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyIDDLYUWOEHZZNB-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethyl-2-methylbutyl)benzene
CID 123641908
[2-methyl-2-(2-methyl-1-phenylpropan-2-yl)sulfanylpropyl]benzene
CID 66796999
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2,2-dimethylpropylbenzene;methanol
CID 157125736
ethane;methane;methylsulfanylmethylbenzene
CID 161395103
(2-benzyl-2,3,3-trimethyl-4-phenylbutyl)benzene
CID 140921791
(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
CID 110174053
[(E)-2,2-dimethylpent-3-enyl]benzene
CID 10487473
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
CID 46185525
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(2-methoxy-2-methylpropyl)benzene
CID 3842751
azane;2,2-dimethylbutylbenzene
CID 175285583

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene?
The IUPAC name of [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene (CID 23432766) is [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene.
What is the SMILES notation for [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene?
The canonical SMILES for [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene is CSCC(C)(CSC)Cc1ccccc1.
What is the InChIKey of [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene?
The InChIKey is IDDLYUWOEHZZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S2/c1-13(10-14-2,11-15-3)9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene?
[2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene has a molecular weight of 240.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-methylsulfanyl-2-(methylsulfanylmethyl)propyl]benzene is sourced from PubChem (CID 23432766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).