1-(benzylsulfinylmethyl)-4-methylbenzene

C15H16OS — CID 12907854

IUPAC1-(benzylsulfinylmethyl)-4-methylbenzene
SMILESCc1ccc(CS(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-13-7-9-15(10-8-13)12-17(16)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeySXRPXGRIAZXBCP-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.44
Rot. Bonds4

About 1-(benzylsulfinylmethyl)-4-methylbenzene

1-(benzylsulfinylmethyl)-4-methylbenzene (PubChem CID 12907854) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(benzylsulfinylmethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-(benzylsulfinylmethyl)-4-methylbenzene
PubChem CID12907854
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-(benzylsulfinylmethyl)-4-methylbenzene
SMILESCc1ccc(CS(=O)Cc2ccccc2)cc1
InChIInChI=1S/C15H16OS/c1-13-7-9-15(10-8-13)12-17(16)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3
InChIKeySXRPXGRIAZXBCP-UHFFFAOYSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(benzylsulfinylmethyl)-4-methylbenzene?
The IUPAC name of 1-(benzylsulfinylmethyl)-4-methylbenzene (CID 12907854) is 1-(benzylsulfinylmethyl)-4-methylbenzene.
What is the SMILES notation for 1-(benzylsulfinylmethyl)-4-methylbenzene?
The canonical SMILES for 1-(benzylsulfinylmethyl)-4-methylbenzene is Cc1ccc(CS(=O)Cc2ccccc2)cc1.
What is the InChIKey of 1-(benzylsulfinylmethyl)-4-methylbenzene?
The InChIKey is SXRPXGRIAZXBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-13-7-9-15(10-8-13)12-17(16)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3.
What are the key properties of 1-(benzylsulfinylmethyl)-4-methylbenzene?
1-(benzylsulfinylmethyl)-4-methylbenzene has a molecular weight of 244.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylsulfinylmethyl)-4-methylbenzene is sourced from PubChem (CID 12907854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).