S-(4-Cyanobutyl)thioacetate - CAS 252949-42-1
Catalog: |
BB018847 |
Product Name: |
S-(4-Cyanobutyl)thioacetate |
CAS: |
252949-42-1 |
Synonyms: |
S-(4-cyanobutyl) ethanethioate |
Application: |
Thioacetate Deprotection Procedure. |
IUPAC Name: | S-(4-cyanobutyl) ethanethioate |
Description: | Thioacetate Deprotection Procedure. |
Molecular Weight: | 157.23 |
Molecular Formula: | C7H11NOS |
Canonical SMILES: | CC(=O)SCCCCC#N |
InChI: | InChI=1S/C7H11NOS/c1-7(9)10-6-4-2-3-5-8/h2-4,6H2,1H3 |
InChI Key: | QZCVGPWTKIYEIZ-UHFFFAOYSA-N |
Flash Point: | > 110 °C(230.0 °F) |
Purity: | 97 % |
Density: | 1.057 g/mL at 25 °C |
MDL: | MFCD10567047 |
LogP: | 1.95998 |
Refractive Index: | 1.487 |
Precautionary Statement: | P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020264257-A1 | Additives for coloring agents and methods of use thereof | 20190628 |
US-2019254955-A1 | Covalent treatment with thiols of keratin-containing materials | 20180220 |
WO-2019164841-A1 | Covalent treatment with thiols of keratin-containing materials | 20180220 |
AU-2019223950-A1 | Covalent treatment with thiols of keratin-containing materials | 20180220 |
CN-112040926-A | Covalent treatment of keratin-containing materials with thiols | 20180220 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.05613515 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.05613515 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 66.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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