1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene

C19H24S — CID 143022955

IUPAC1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene
SMILESCCC(c1ccccc1)C(CSC)c1ccc(C)cc1
InChIInChI=1S/C19H24S/c1-4-18(16-8-6-5-7-9-16)19(14-20-3)17-12-10-15(2)11-13-17/h5-13,18-19H,4,14H2,1-3H3
InChIKeyKXTATKVDEKDHAF-UHFFFAOYSA-N
MW284.47 g/mol
LogP5.64
Rot. Bonds6

About 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene

1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene (PubChem CID 143022955) has the molecular formula C19H24S and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene
PubChem CID143022955
Molecular FormulaC19H24S
Molecular Weight284.47 g/mol
Exact Mass284.16
IUPAC Name1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene
SMILESCCC(c1ccccc1)C(CSC)c1ccc(C)cc1
InChIInChI=1S/C19H24S/c1-4-18(16-8-6-5-7-9-16)19(14-20-3)17-12-10-15(2)11-13-17/h5-13,18-19H,4,14H2,1-3H3
InChIKeyKXTATKVDEKDHAF-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.47
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene?
The IUPAC name of 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene (CID 143022955) is 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene.
What is the SMILES notation for 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene?
The canonical SMILES for 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene is CCC(c1ccccc1)C(CSC)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene?
The InChIKey is KXTATKVDEKDHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24S/c1-4-18(16-8-6-5-7-9-16)19(14-20-3)17-12-10-15(2)11-13-17/h5-13,18-19H,4,14H2,1-3H3.
What are the key properties of 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene?
1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene has a molecular weight of 284.47 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene is sourced from PubChem (CID 143022955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).