2-(Phenylcarbonothioylthio)propanoic acid

Inquiry

Molecular Formula:

C10H10O2S2

Molecular Weight:

226.32

CAS Number:

78751-36-7

Catalog Number:

78751-36-7

Product Information

Molecular Formula:

C10H10O2S2

Molecular Weight:

226.32

Description

2-(Phenylcarbonothioylthio)propanoic acid (CAS# 78751-36-7 ) is a useful research chemical.

Synonyms

2-(benzenecarbonothioylsulfanyl)propanoic acid

IUPAC Name

2-(benzenecarbonothioylsulfanyl)propanoic acid

Canonical SMILES

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

InChI

InChI=1S/C10H10O2S2/c1-7(9(11)12)14-10(13)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)

InChI Key

HPSQKMAZWIIJBT-UHFFFAOYSA-N

Purity

Min. 97 %

LogP

2.56840

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.

Precautionary Statement

P101:
If medical advice is needed, have product container or label at hand.
P102:
Keep out of reach of children.
P103:
Read label before use.
P231:
Handle under inert gas.
P235:
Keep cool.
P262:
Do not get in eyes, on skin, or on clothing.
P305+P351+P338:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
P410:
Protect from sunlight.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Signal Word

Warning

Computed Properties

XLogP3

2.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

226.01222190 g/mol

Monoisotopic Mass

226.01222190 g/mol

Topological Polar Surface Area

94.7Å²

Heavy Atom Count

Formal Charge

Complexity

222

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-112175154-A	Particle size controllable silicon-fluorine polymer nano particle and preparation method and application thereof	2020-10-09
CN-112175503-A	Super-smooth coating	2020-10-09
CN-112175503-B	Super-smooth coating	2020-10-09
CN-112048044-A	Method for obtaining polymers with different morphologies through induced self-assembly	2020-09-10
CN-112048225-A	Super-hydrophobic coating with micro-nano hierarchical structure and preparation method thereof	2020-09-10
CN-112048225-B	Super-hydrophobic coating with micro-nano hierarchical structure and preparation method thereof	2020-09-10
CN-111378079-A	Star-shaped polycarboxylate superplasticizer with controllable molecular structure and preparation method thereof	2018-12-31
WO-2020122422-A1	Acrylic copolymer, preparation method therefor, and acrylic copolymer composition comprising same	2018-12-13
CN-111801362-A	Acrylic copolymer, method for preparing the same, and acrylic copolymer composition comprising the same	2018-12-13
EP-3750928-A1	Acrylic copolymer, preparation method therefor, and acrylic copolymer composition comprising same	2018-12-13

Literatures

PMID	Publication Date	Title	Journal
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)

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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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