benzylsulfinylmethylbenzene

C14H14OS — CID 12116

IUPACbenzylsulfinylmethylbenzene
SMILESO=S(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyHTMQZWFSTJVJEQ-UHFFFAOYSA-N
MW230.33 g/mol
LogP3.14
Rot. Bonds4

About benzylsulfinylmethylbenzene

benzylsulfinylmethylbenzene (PubChem CID 12116) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is benzylsulfinylmethylbenzene.

Molecular Properties

Compound Namebenzylsulfinylmethylbenzene
PubChem CID12116
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Namebenzylsulfinylmethylbenzene
SMILESO=S(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyHTMQZWFSTJVJEQ-UHFFFAOYSA-N
XLogP3.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzylsulfinylmethylbenzene?
The IUPAC name of benzylsulfinylmethylbenzene (CID 12116) is benzylsulfinylmethylbenzene.
What is the SMILES notation for benzylsulfinylmethylbenzene?
The canonical SMILES for benzylsulfinylmethylbenzene is O=S(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of benzylsulfinylmethylbenzene?
The InChIKey is HTMQZWFSTJVJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c15-16(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of benzylsulfinylmethylbenzene?
benzylsulfinylmethylbenzene has a molecular weight of 230.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylsulfinylmethylbenzene is sourced from PubChem (CID 12116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).