3-[[(Benzylthio)carbonothioyl]thio]propionic Acid

Inquiry

Molecular Formula:

C11H12O2S3

Molecular Weight:

272.4

CAS Number:

497931-76-7

Catalog Number:

497931-76-7

Product Information

Molecular Formula:

C11H12O2S3

Molecular Weight:

272.4

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-Benzylsulfanylthiocarbonylsulfanyl Propionic Acid

IUPAC Name

3-benzylsulfanylcarbothioylsulfanylpropanoic acid

Canonical 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

Melting Point

83.0 to 87.0 °C

Purity

>98.0%(T)

Appearance

White to Yellow to Orange powder to crystal

Storage

0-10°C

Safety Information

Hazards

H315:
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].

Computed Properties

XLogP3

3.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

271.99994314 g/mol

Monoisotopic Mass

271.99994314 g/mol

Topological Polar Surface Area

120Å²

Heavy Atom Count

Formal Charge

Complexity

237

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-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

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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