chempirical

Bisphenol S

C12H10O4SCAS 80-09-1250.27 g/mol

Open in Covalent MOL file
OSOOHHO
PhenolSulfone

Properties

Molecular formula
C12H10O4S
Molar mass
250.27 g/mol
Exact mass
250.0300 Da
Density
1.3663 g/mL (at 15 °C)
Melting point
240.5 °C
Boiling point
168–169 °C
Water solubility
insoluble
logP
1.93Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Danger
Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
80-09-1
SMILES
O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1
InChIKey
VPWNQTHUCYMVMZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

29 names · show all
  • Phenol, 4,4′-sulfonylbis-
  • Phenol, 4,4′-sulfonyldi-
  • 4,4′-Sulfonylbis[phenol]
  • 4,4′-Sulfonyldiphenol
  • 4,4′-Dihydroxydiphenyl sulfone
  • Bis(4-hydroxyphenyl) sulfone
  • Bis(p-hydroxyphenyl) sulfone
  • 1,1′-Sulfonylbis[4-hydroxybenzene]
  • p,p′-Dihydroxydiphenyl sulfone
  • Diphone C
  • 4,4′-Bisphenol S
  • 4-Hydroxyphenyl sulfone
  • BPS 1
  • BPS-N
  • BS 3 (phenol)
  • BPS-P
  • BS 3
  • 4-(4-Hydroxyphenylsulfonyl)phenol
  • Diphone A
  • Diphone D
  • NSC 683541
  • NSC 8712
  • Ex 1B
  • BS-PN
  • Dynamar FC 5166
  • BPS-H
  • D 8
  • Bisphenol S sulfonic acid ester
  • HC-DS

Work with Bisphenol S

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-[[4-(1-Methylethoxy)phenyl]sulfonyl]phenol95235-30-660 % similar 4-Hydroxybenzenesulfonic acid98-67-958 % similar 4-(Methylsulfonyl)phenol14763-60-156 % similar 4-Hydroxybenzenesulfonamide1576-43-856 % similar 4-[[4-(Phenylmethoxy)phenyl]sulfonyl]phenol63134-33-855 % similar Sodium 4-hydroxybenzenesulfonate825-90-152 % similar Hydroquinone123-31-950 % similar Diphenyl sulfone127-63-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,3′-Sulfonylbis[phenol]46765-03-1 2,4'-Dihydroxydiphenyl sulfone5397-34-2 4,4′-Thiobis[1,3-benzenediol]97-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia