(3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane

C6H3BrF5NS2 — CID 118478899

IUPAC(3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1cc(Br)cc(N=S)c1
InChIInChI=1S/C6H3BrF5NS2/c7-4-1-5(13-14)3-6(2-4)15(8,9,10,11)12/h1-3H
InChIKeyPHCDPFYXZRAIAB-UHFFFAOYSA-N
MW328.13 g/mol
LogP5.47
Rot. Bonds2

About (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane

(3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane (PubChem CID 118478899) has the molecular formula C6H3BrF5NS2 and a molecular weight of 328.13 g/mol. Its IUPAC name is (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name(3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane
PubChem CID118478899
Molecular FormulaC6H3BrF5NS2
Molecular Weight328.13 g/mol
Exact Mass326.88
IUPAC Name(3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1cc(Br)cc(N=S)c1
InChIInChI=1S/C6H3BrF5NS2/c7-4-1-5(13-14)3-6(2-4)15(8,9,10,11)12/h1-3H
InChIKeyPHCDPFYXZRAIAB-UHFFFAOYSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.13
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane?
The IUPAC name of (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane (CID 118478899) is (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane.
What is the SMILES notation for (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane?
The canonical SMILES for (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)c1cc(Br)cc(N=S)c1.
What is the InChIKey of (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane?
The InChIKey is PHCDPFYXZRAIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF5NS2/c7-4-1-5(13-14)3-6(2-4)15(8,9,10,11)12/h1-3H.
What are the key properties of (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane?
(3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane has a molecular weight of 328.13 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-thionitrosophenyl)-pentafluoro-λ6-sulfane is sourced from PubChem (CID 118478899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).