CAS 637-89-8|4-Hydroxythiophenol|4-sulfanylphenol|4-sulfanylphenol|4-巯基苯酚|4-Mercaptophenol|4-Hydroxyphenyl mercaptan|4-Hydroxythiophenol|4-羟基苯硫酚|4-Mercaptophenol|4-Hydroxythiophenol 98%|4-H...

General Information

Structure

Molecular Formula

C₆H₆OS

Molecular Mass

126.17624

Exact Mass

126.01393581

Charge

InChI

InChI=1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H

InChIKey

BXAVKNRWVKUTLY-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1)S

Isomeric Smiles

c1c(ccc(c1)O)S

Calculated Properties

JChem

Acid pKa

6.0953374

H Acceptors

H Donor

LogD (pH = 5.5)

1.6687362

LogD (pH = 7.4)

0.6815985

Log P

1.7628877

Molar Refractivity

36.0487

Polarizability

13.970119

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-Hydroxythiophenol4-Mercaptophenol4-Hydroxythiophenol4-Hydroxyphenyl mercaptan4-巯基苯酚4-Mercaptophenol4-羟基苯硫酚4-Hydroxythiophenol 98%4-Sulphanylphenol4-Hydroxybenzenethiol4-sulfanylphenol4-HydroxythiophenolMonothiohydroquinone对羟基苯硫酚

IUPAC name

4-sulfanylphenol

IUPAC Traditional name

4-sulfanylphenol

Names and Identifiers

Registration numbers

CAS Number

637-89-8

MDL Number

MFCD00004850

PubChem CID

240147