S-(Thiobenzoyl)thioglycolic acid
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
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.
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
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
211.99657184 g/mol
Monoisotopic Mass
211.99657184 g/mol
Topological Polar Surface Area
94.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
198
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
1
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 |
