4-(Methylthio)butyl azide - CAS 57775-01-6
Catalog: |
BB059318 |
Product Name: |
4-(Methylthio)butyl azide |
CAS: |
57775-01-6 |
Synonyms: |
1-Azido-4-(methylthio)-butane; NSC 378222 |
IUPAC Name: | 1-azido-4-methylsulfanylbutane |
Description: | Used in the preparation of sulforaphane and related isothiocyanates. |
Molecular Weight: | 145.23 |
Molecular Formula: | C5H11N3S |
Canonical SMILES: | CSCCCCN=[N+]=[N-] |
InChI: | InChI=1S/C5H11N3S/c1-9-5-3-2-4-7-8-6/h2-5H2,1H3 |
InChI Key: | NCNNFFKLXFOXMQ-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Ethyl Acetate |
Appearance: | Light Yellow Oil |
Storage: | Refrigerator |
Complexity: | 98.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.06736854 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.06736854 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 39.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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