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2-(Phenylcarbonothioylthio)propanoic acid

2-(Phenylcarbonothioylthio)propanoic acid - CAS 78751-36-7

Catalog:	BB036236
Product Name:	2-(Phenylcarbonothioylthio)propanoic acid
CAS:	78751-36-7
Synonyms:	2-(benzenecarbonothioylsulfanyl)propanoic acid

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Computed Properties

IUPAC Name:	2-(benzenecarbonothioylsulfanyl)propanoic acid
Description:	2-(Phenylcarbonothioylthio)propanoic acid (CAS# 78751-36-7 ) is a useful research chemical.
Molecular Weight:	226.32
Molecular Formula:	C10H10O2S2
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

Publication Number	Title	Priority Date
CN-112175154-A	Particle size controllable silicon-fluorine polymer nano particle and preparation method and application thereof	20201009
CN-112175503-A	Super-smooth coating	20201009
CN-112048044-A	Method for obtaining polymers with different morphologies through induced self-assembly	20200910
CN-112048225-A	Super-hydrophobic coating with micro-nano hierarchical structure and preparation method thereof	20200910
CN-112048225-B	Super-hydrophobic coating with micro-nano hierarchical structure and preparation method thereof	20200910

PMID	Publication Date	Title	Journal
18952446	20081201	Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM)	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.0122219
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.0122219
Rotatable Bond Count:	4
Topological Polar Surface Area:	94.7
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9