Thionyl Bromide

CAS: 507-16-4 · Br2OS

2D Structure

Loading 3D structure...

CAS Registry Number

507-16-4

SMILES

O=S(Br)Br

InChI Key

HFRXJVQOXRXOPP-UHFFFAOYSA-N

InChI

InChI=1S/Br2OS/c1-4(2)3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	207.87 g/mol	CAS Common Chemistry
	207.874 g/mol	RDKit
	207.867 g/mol	chempirical lib
Wikipedia Url	https://en.wikipedia.org/wiki/Thionyl_bromide	CAS Common Chemistry
Canonical SMILES	O=S(Br)Br	CAS Common Chemistry
InChI	InChI=1S/Br2OS/c1-4(2)3	CAS Common Chemistry
InChI Key	InChIKey=HFRXJVQOXRXOPP-UHFFFAOYSA-N	CAS Common Chemistry
Name	Thionyl bromide	CAS Common Chemistry
Heavy Atom Count	4	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	17.07 Å²	RDKit
LogP	1.3549000000000002	RDKit
	1.3549	RDKit
Molar Refractivity	25.9964 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	205.80365982 g/mol	RDKit
Boiling Point	30-33 °C @ 13 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 207.87 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)