[2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]carbamodithioic Acid Methyl Ester - CAS 88570-65-4
Catalog: |
BB057458 |
Product Name: |
[2-[(Tetrahydro-2H-pyran-2-yl)oxy]ethyl]carbamodithioic Acid Methyl Ester |
CAS: |
88570-65-4 |
Synonyms: |
Methyl (2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)carbamodithioate; methyl N-[2-(oxan-2-yloxy)ethyl]carbamodithioate; N-[2-(2-tetrahydropyranyl)oxyethyl]dithiocarbamic acid methyl ester |
IUPAC Name: | methyl N-[2-(oxan-2-yloxy)ethyl]carbamodithioate |
Description: | [2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]carbamodithioic Acid Methyl Ester is an intermediate used in the synthesis of oxacephem antibiotics. |
Molecular Weight: | 235.37 |
Molecular Formula: | C9H17NO2S2 |
Canonical SMILES: | CSC(=S)NCCOC1CCCCO1 |
InChI: | InChI=1S/C9H17NO2S2/c1-14-9(13)10-5-7-12-8-4-2-3-6-11-8/h8H,2-7H2,1H3,(H,10,13) |
InChI Key: | MOJVTGWMINQSFS-UHFFFAOYSA-N |
Solubility: | Chloroform, Methanol |
Appearance: | Liquid |
References: | Tsuji, T., et al. J. Antibiotics., 38, 466 (1985). |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.07007113 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.07007113 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 87.9Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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