(4-benzylphenoxy) thiohypofluorite

C13H11FOS — CID 178117006

IUPAC(4-benzylphenoxy) thiohypofluorite
SMILESFSOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H11FOS/c14-16-15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyIARPJXXPCZKWKH-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.19
Rot. Bonds4

About (4-benzylphenoxy) thiohypofluorite

(4-benzylphenoxy) thiohypofluorite (PubChem CID 178117006) has the molecular formula C13H11FOS and a molecular weight of 234.30 g/mol. Its IUPAC name is (4-benzylphenoxy) thiohypofluorite.

Molecular Properties

Compound Name(4-benzylphenoxy) thiohypofluorite
PubChem CID178117006
Molecular FormulaC13H11FOS
Molecular Weight234.30 g/mol
Exact Mass234.05
IUPAC Name(4-benzylphenoxy) thiohypofluorite
SMILESFSOc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H11FOS/c14-16-15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyIARPJXXPCZKWKH-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-benzylphenoxy)methanamine
CID 67208849
1,4-bis(4-benzylphenyl)benzene
CID 58251041
phenyl(113C)methylbenzene
CID 11194569
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-benzyl-4-methoxybenzene;hexafluoroantimony(1-);hydron
CID 158050824
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
1-benzyl-4-(4-phosphorosooxyphenyl)benzene
CID 174837402
1-benzyl-4-ethenoxybenzene
CID 21364304
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947

Frequently Asked Questions

What is the IUPAC name of (4-benzylphenoxy) thiohypofluorite?
The IUPAC name of (4-benzylphenoxy) thiohypofluorite (CID 178117006) is (4-benzylphenoxy) thiohypofluorite.
What is the SMILES notation for (4-benzylphenoxy) thiohypofluorite?
The canonical SMILES for (4-benzylphenoxy) thiohypofluorite is FSOc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of (4-benzylphenoxy) thiohypofluorite?
The InChIKey is IARPJXXPCZKWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c14-16-15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of (4-benzylphenoxy) thiohypofluorite?
(4-benzylphenoxy) thiohypofluorite has a molecular weight of 234.30 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylphenoxy) thiohypofluorite is sourced from PubChem (CID 178117006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).