22599-69-5
Product Name:
2-CHLOROETHYL METHYL SULFIDE
Formula:
C3H7ClS
Synonyms:
2-(Methylthio)ethyl chloride;Hemisulfur mustard
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Yellow liquid with a stench; [Sigma-Aldrich MSDS] |
|---|---|
| Chemical Classes | Other Classes -> Sulfur Compounds |
COMPUTED DESCRIPTORS
| Molecular Weight | 110.61 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 109.9956991 g/mol |
| Monoisotopic Mass | 109.9956991 g/mol |
| Topological Polar Surface Area | 25.3 Ų |
| Heavy Atom Count | 5 |
| Formal Charge | 0 |
| Complexity | 16.4 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |