1-methylsulfanyl-2-propan-2-ylbenzene

C10H14S — CID 18984783

IUPAC1-methylsulfanyl-2-propan-2-ylbenzene
SMILESCSc1ccccc1C(C)C
InChIInChI=1S/C10H14S/c1-8(2)9-6-4-5-7-10(9)11-3/h4-8H,1-3H3
InChIKeyUWRWHOKKUJISAM-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.53
Rot. Bonds2

About 1-methylsulfanyl-2-propan-2-ylbenzene

1-methylsulfanyl-2-propan-2-ylbenzene (PubChem CID 18984783) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 1-methylsulfanyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methylsulfanyl-2-propan-2-ylbenzene
PubChem CID18984783
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name1-methylsulfanyl-2-propan-2-ylbenzene
SMILESCSc1ccccc1C(C)C
InChIInChI=1S/C10H14S/c1-8(2)9-6-4-5-7-10(9)11-3/h4-8H,1-3H3
InChIKeyUWRWHOKKUJISAM-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-2-propan-2-ylbenzene?
The IUPAC name of 1-methylsulfanyl-2-propan-2-ylbenzene (CID 18984783) is 1-methylsulfanyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-methylsulfanyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-methylsulfanyl-2-propan-2-ylbenzene is CSc1ccccc1C(C)C.
What is the InChIKey of 1-methylsulfanyl-2-propan-2-ylbenzene?
The InChIKey is UWRWHOKKUJISAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-8(2)9-6-4-5-7-10(9)11-3/h4-8H,1-3H3.
What are the key properties of 1-methylsulfanyl-2-propan-2-ylbenzene?
1-methylsulfanyl-2-propan-2-ylbenzene has a molecular weight of 166.29 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-propan-2-ylbenzene is sourced from PubChem (CID 18984783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).