O-Ethyl Thiocarbanilate - CAS 3111-89-5
Catalog: |
BB065435 |
Product Name: |
O-Ethyl Thiocarbanilate |
CAS: |
3111-89-5 |
Synonyms: |
O-Ethyl N-phenylcarbamothioate; Ethyl N-phenylthiocarbamate; Ethyl phenylaminothioformate; NSC 47840; NSC 7236; O-Ethyl N-phenylthiocarbamate; O-Ethyl phenylthiocarbamate; O-Ethyl thiocarbanilate; Phenylthiourethane |
IUPAC Name: | O-ethyl N-phenylcarbamothioate |
Molecular Weight: | 181.25 |
Molecular Formula: | C9H11NOS |
Canonical SMILES: | CCOC(=S)NC1=CC=CC=C1 |
InChI: | InChI=1S/C9H11NOS/c1-2-11-9(12)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,12) |
InChI Key: | WXNKKAIEQXMTBZ-UHFFFAOYSA-N |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.05613515 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.05613515 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 53.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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