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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Bismuth sulfite,basic

Molecular Formula

Bi₄O₁₂S₃

Molecular Weight

1124.1 g/mol

InChI Key

RWTZLFHFZQCKOM-UHFFFAOYSA-H

1 2D Structure

Bismuth Sulfite

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dibismuth;oxo(oxobismuthanyloxy)bismuthane;trisulfite

2.1.2 InChI

InChI=1S/4Bi.3H2O3S.3O/c;;;;3*1-4(2)3;;;/h;;;;3*(H2,1,2,3);;;/q;;2*+3;;;;;;/p-6

2.1.3 InChI Key

RWTZLFHFZQCKOM-UHFFFAOYSA-H

2.1.4 Canonical SMILES

[O-]S(=O)[O-].[O-]S(=O)[O-].[O-]S(=O)[O-].O=[Bi]O[Bi]=O.[Bi+3].[Bi+3]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Bismuth Sulfite,basic

2.3 Create Date

2015-10-05

3 Chemical and Physical Properties

Molecular Formula	Bi₄O₁₂S₃
Molecular Weight	1124.1 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	0
Exact Mass	1123.77678 g/mol
Monoisotopic Mass	1123.77678 g/mol
Topological Polar Surface Area	291 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	52.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	6