(4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate

C12H12BF4IS — CID 16726304

IUPAC(4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate
SMILESCc1ccc([I+]c2ccc(C)s2)cc1.F[B-](F)(F)F
InChIInChI=1S/C12H12IS.BF4/c1-9-3-6-11(7-4-9)13-12-8-5-10(2)14-12;2-1(3,4)5/h3-8H,1-2H3;/q+1;-1
InChIKeyJFFYGUVSMNBFFC-UHFFFAOYSA-N
MW402.00 g/mol
LogP1.79
Rot. Bonds2

About (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate

(4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate (PubChem CID 16726304) has the molecular formula C12H12BF4IS and a molecular weight of 402.00 g/mol. Its IUPAC name is (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate.

Molecular Properties

Compound Name(4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate
PubChem CID16726304
Molecular FormulaC12H12BF4IS
Molecular Weight402.00 g/mol
Exact Mass401.97
IUPAC Name(4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate
SMILESCc1ccc([I+]c2ccc(C)s2)cc1.F[B-](F)(F)F
InChIInChI=1S/C12H12IS.BF4/c1-9-3-6-11(7-4-9)13-12-8-5-10(2)14-12;2-1(3,4)5/h3-8H,1-2H3;/q+1;-1
InChIKeyJFFYGUVSMNBFFC-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.00
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methylphenyl)iodanium
CID 158665540
bis(5-methylthiophen-2-yl)iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139729247
bis(4-methylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22035133
bis[5-(4-methylphenyl)thiophen-2-yl]iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139729215
2-(4-chlorophenyl)-5-methylthiophene
CID 13356220
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
CID 71349867
methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium
CID 160535217
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 159687848
1-methoxy-4-methylbenzene tritetrafluoroborate
CID 175186018
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
1-chloro-4-methylbenzene;zinc
CID 174694335
CID 86088537
CID 86088537

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate?
The IUPAC name of (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate (CID 16726304) is (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate.
What is the SMILES notation for (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate?
The canonical SMILES for (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate is Cc1ccc([I+]c2ccc(C)s2)cc1.F[B-](F)(F)F.
What is the InChIKey of (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate?
The InChIKey is JFFYGUVSMNBFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IS.BF4/c1-9-3-6-11(7-4-9)13-12-8-5-10(2)14-12;2-1(3,4)5/h3-8H,1-2H3;/q+1;-1.
What are the key properties of (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate?
(4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate has a molecular weight of 402.00 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(5-methylthiophen-2-yl)iodanium tetrafluoroborate is sourced from PubChem (CID 16726304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).