3-[[(Benzylthio)carbonothioyl]thio]propionic Acid
Product Information
Molecular Formula
C11H12O2S3
Molecular Weight
272.41
Description
3-[[(Benzylthio)carbonothioyl]thio]propionic Acid is a remarkable biomedical solution that manifests its pivotal role in the treatment of specific ailments. Esteemed for its multifaceted applications, this compound culminates in the comprehensive exploration of prospective pharmaceuticals, meticulous analysis of their pharmacological attributes, and thorough assessment of their toxicity profiles.
Synonyms
3-(((Benzylthio)carbonothioyl)thio)propanoic acid; Propanoic acid, 3-[[[(phenylmethyl)thio]thioxomethyl]thio]-; 3-(Benzylsulfanylthiocarbonylsulfanyl)propionic acid; 3-[[[(Phenylmethyl)thio]thioxomethyl]thio]-propanoic acid; 3-{[(Benzylsulfanyl)methanethioyl]sulfanyl}propanoic acid
IUPAC Name
3-benzylsulfanylcarbothioylsulfanylpropanoic acid
SMILES
C1=CC=C(C=C1)CSC(=S)SCCC(=O)O
InChI
InChI=1S/C11H12O2S3/c12-10(13)6-7-15-11(14)16-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChI Key
IJPDPFXRBLNDPQ-UHFFFAOYSA-N
Boiling Point
500.5±39.0 °C at 760 mmHg
Melting Point
86-88 °C
Purity
≥95%
Density
1.366±0.06 g/cm3
Appearance
White to Yellow to Orange powder to crystal
Storage
Store at RT
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].
Computed Properties
XLogP3
3.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
7
Exact Mass
271.99994314 g/mol
Monoisotopic Mass
271.99994314 g/mol
Topological Polar Surface Area
120Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
237
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-113980208-A | Multi-arm block type polycaprolactone color-changing polymer, light-operated color-changing sponge and preparation method thereof | 2021-10-20 |
| CN-112876813-A | Flame-retardant solvent-free epoxy grouting material and preparation method thereof | 2021-02-06 |
| CN-112961570-A | Environment-friendly underwater toughening epoxy resin adhesive and preparation method thereof | 2021-02-06 |
| CN-112759729-A | Colored super-hydrophobic polyethylene material and preparation method thereof | 2021-01-22 |
| CN-112759881-A | Porous alumina modified polystyrene and preparation method thereof | 2021-01-22 |
| CN-112831055-A | Degradable flame-retardant polystyrene block copolymer and preparation method thereof | 2021-01-13 |
| CN-112175151-A | Antibacterial polystyrene material and preparation method thereof | 2020-10-16 |
| CN-112210051-A | Antibacterial polypropylene material containing phosphonium salt and organic tin and preparation method thereof | 2020-10-16 |
| CN-112111125-A | Hydrophobic antibacterial polybutadiene block copolymer material and preparation method thereof | 2020-09-16 |
| CN-112142929-A | Antibacterial polyethylene material and preparation method thereof | 2020-09-16 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 19731270 | 2010-02-11 | Neoglycopolymers based on 4-vinyl-1,2,3-triazole monomers prepared by click chemistry | Macromolecular bioscience |
