1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene

C15H24S — CID 170317161

IUPAC1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene
SMILESCc1cc(C(C)C)c(C)c(C)c1SC(C)C
InChIInChI=1S/C15H24S/c1-9(2)14-8-11(5)15(16-10(3)4)13(7)12(14)6/h8-10H,1-7H3
InChIKeyYQFXFUBJCXIYEL-UHFFFAOYSA-N
MW236.42 g/mol
LogP5.24
Rot. Bonds3

About 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene

1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene (PubChem CID 170317161) has the molecular formula C15H24S and a molecular weight of 236.42 g/mol. Its IUPAC name is 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene
PubChem CID170317161
Molecular FormulaC15H24S
Molecular Weight236.42 g/mol
Exact Mass236.16
IUPAC Name1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene
SMILESCc1cc(C(C)C)c(C)c(C)c1SC(C)C
InChIInChI=1S/C15H24S/c1-9(2)14-8-11(5)15(16-10(3)4)13(7)12(14)6/h8-10H,1-7H3
InChIKeyYQFXFUBJCXIYEL-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,4-dimethyl-2,5-di(propan-2-yl)aniline
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2-methyl-4,6-bis(propan-2-ylsulfanyl)benzene-1,3-diamine
CID 18676364
1-ethynyl-2,5-dimethyl-3-propan-2-ylbenzene
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CID 123989601
1-fluoro-2,5-dimethyl-3-propan-2-ylbenzene
CID 58029447
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
(1S)-1,7,8-trimethyl-4,5-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline
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5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene
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1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine
CID 166055872
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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene?
The IUPAC name of 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene (CID 170317161) is 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene.
What is the SMILES notation for 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene?
The canonical SMILES for 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene is Cc1cc(C(C)C)c(C)c(C)c1SC(C)C.
What is the InChIKey of 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene?
The InChIKey is YQFXFUBJCXIYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S/c1-9(2)14-8-11(5)15(16-10(3)4)13(7)12(14)6/h8-10H,1-7H3.
What are the key properties of 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene?
1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene has a molecular weight of 236.42 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-5-propan-2-yl-2-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 170317161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).