1-benzylsulfanyl-4-methoxybenzene

C14H14OS — CID 10900447

IUPAC1-benzylsulfanyl-4-methoxybenzene
SMILESCOc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyGGUMXGHTTKUDNB-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.99
Rot. Bonds4

About 1-benzylsulfanyl-4-methoxybenzene

1-benzylsulfanyl-4-methoxybenzene (PubChem CID 10900447) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is 1-benzylsulfanyl-4-methoxybenzene.

Molecular Properties

Compound Name1-benzylsulfanyl-4-methoxybenzene
PubChem CID10900447
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name1-benzylsulfanyl-4-methoxybenzene
SMILESCOc1ccc(SCc2ccccc2)cc1
InChIInChI=1S/C14H14OS/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyGGUMXGHTTKUDNB-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-4-methoxybenzene?
The IUPAC name of 1-benzylsulfanyl-4-methoxybenzene (CID 10900447) is 1-benzylsulfanyl-4-methoxybenzene.
What is the SMILES notation for 1-benzylsulfanyl-4-methoxybenzene?
The canonical SMILES for 1-benzylsulfanyl-4-methoxybenzene is COc1ccc(SCc2ccccc2)cc1.
What is the InChIKey of 1-benzylsulfanyl-4-methoxybenzene?
The InChIKey is GGUMXGHTTKUDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 1-benzylsulfanyl-4-methoxybenzene?
1-benzylsulfanyl-4-methoxybenzene has a molecular weight of 230.33 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-4-methoxybenzene is sourced from PubChem (CID 10900447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).