S-(Thiobenzoyl)thioglycolic acid

Inquiry

Molecular Formula:

C9H8O2S2

Molecular Weight:

212.29

CAS Number:

942-91-6

Catalog Number:

942-91-6

Product Information

Molecular Formula:

C9H8O2S2

Molecular Weight:

212.29

Description

S-(Thiobenzoyl)thioglycolic acid (CAS# 942-91-6) is a useful research chemical.

Synonyms

2-(benzenecarbonothioylsulfanyl)acetic acid

IUPAC Name

2-(benzenecarbonothioylsulfanyl)acetic acid

Canonical SMILES

C1=CC=C(C=C1)C(=S)SCC(=O)O

InChI

InChI=1S/C9H8O2S2/c10-8(11)6-13-9(12)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,11)

InChI Key

XBEIANFIOZTEDE-UHFFFAOYSA-N

Boiling Point

375.5 °C at 760 mmHg

Melting Point

125-127 °C

Purity

95 %

Density

1.379 g/cm³

Appearance

Dark red.

Storage

Store in a cool, dry place. Keep container closed when not in use.

LogP

2.17990

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

XLogP3

2.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

211.99657184 g/mol

Monoisotopic Mass

211.99657184 g/mol

Topological Polar Surface Area

94.7Å²

Heavy Atom Count

Formal Charge

Complexity

198

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113956503-A	Polycation nano antibacterial agent, preparation method and application thereof	2021-10-18
CN-113956508-A	Temperature-sensitive polycation antibacterial gel, preparation method and application thereof	2021-10-18
CN-113463074-A	Copper deposition composition and copper deposition method	2021-06-03
JP-2022039817-A	Photoresponsive polymers, photoresponsive adhesives, toners, and image forming methods	2020-08-28
US-2022066345-A1	Photoresponsive polymer, photoresponsive adhesive, toner, and image forming method	2020-08-28
JP-2022031010-A	Photoresponsive polymer	2020-08-07
US-2022043366-A1	Photoresponsive polymer	2020-08-07
WO-2021256149-A1	Adhesive composition for organic fiber cord, rubber reinforcing material and method for producing same, and rubber article	2020-06-19
EP-3901704-A1	Photoresponsive material, adhesive, optical switching material, toner, and image forming method	2020-04-24
US-2021332272-A1	Photoresponsive material, adhesive, optical switching material, toner, and image forming method	2020-04-24

Literatures

PMID	Publication Date	Title	Journal
21587589	2010-09-25	2-(Phenyl-carbonothio-ylsulfan-yl)acetic acid	Acta crystallographica. Section E, Structure reports online
18952446	2008-12-01	Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM)	Bioorganic & medicinal chemistry

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)