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4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid

4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid - CAS 201611-92-9

Catalog:	BB044036
Product Name:	4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid
CAS:	201611-92-9
Synonyms:	4-Cyano-4-((phenylcarbonothioyl)thio)pentanoic acid; Pentanoic acid, 4-cyano-4-[(phenylthioxomethyl)thio]-

4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(benzenecarbonothioylsulfanyl)-4-cyanopentanoic acid
Description:	Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization.
Molecular Weight:	279.38
Molecular Formula:	C13H13NO2S2
Canonical SMILES:	CC(CCC(=O)O)(C#N)SC(=S)C1=CC=CC=C1
InChI:	InChI=1S/C13H13NO2S2/c1-13(9-14,8-7-11(15)16)18-12(17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)
InChI Key:	YNKQCPNHMVAWHN-UHFFFAOYSA-N
Boiling Point:	473.01 °C at 760 mmHg
Melting Point:	94-98 °C
Flash Point:	>230 °F
Purity:	95 %
Density:	1.309 g/cm³
Appearance:	White to light yellow to light red powder to crystal
Storage:	0-10 °C
Refractive Index:	n20/D 1.696

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