4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid - CAS 870196-80-8
Catalog: |
BB043155 |
Product Name: |
4-Cyano-4-(dodecylsulfanylthiocarbonyl)sulfanylpentanoic acid |
CAS: |
870196-80-8 |
Synonyms: |
4-Cyano-4-(((dodecylthio)carbonothioyl)thio)pentanoic acid; 4-Cyano-4-[(dodecylsulfanylthiocarbonyl)sulfanyl]pentanoic acid; Pentanoic acid, 4-cyano-4-[[(dodecylthio)thioxomethyl]thio]- |
IUPAC Name: | 4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic acid |
Description: | Reversible Addition Fragmentation Chain Transfer (RAFT) Polymerization. |
Molecular Weight: | 403.67 |
Molecular Formula: | C19H33NO2S3 |
Canonical SMILES: | CCCCCCCCCCCCSC(=S)SC(C)(CCC(=O)O)C#N |
InChI: | InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22) |
InChI Key: | RNTXYZIABJIFKQ-UHFFFAOYSA-N |
Melting Point: | 61.0 to 65.0 °C |
Purity: | Min. 97 % |
Appearance: | White to light yellow to light orange powder to crystal |
Storage: | −20 °C |
Refractive Index: | n20/D 1.526 |
GHS Hazard Statement: | H302 (95.24%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261: Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP]. P264: Wash thoroughly after handling. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352+P312: IF ON SKIN: Wash with plenty of soap and water. Call a POISON CENTER or doctor/physician if you feel unwell. P304+P340+P312: IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER or doctor/physician if you feel unwell. P337+P313: If eye irritation persists: Get medical advice/attention. |
Signal Word: | Warning |
Complexity: | 434 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 403.16734282 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 403.16734282 |
Rotatable Bond Count: | 17 |
Topological Polar Surface Area: | 144 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 7.6 |
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