Chlorthiamid - CAS 1918-13-4
Catalog: |
BB069996 |
Product Name: |
Chlorthiamid |
CAS: |
1918-13-4 |
Synonyms: |
2,6-Dichlorobenzenecarbothioamide; 2,6-Dichlorothiobenzamide; Chlorthiamide; DCBN; Prefix (chlorthiamid); SD 7961 |
IUPAC Name: | 2,6-dichlorobenzenecarbothioamide |
Description: | Chlorthiamid |
Molecular Weight: | 206.09 |
Molecular Formula: | C7H5Cl2NS |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)C(=S)N)Cl |
InChI: | InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11) |
InChI Key: | KGKGSIUWJCAFPX-UHFFFAOYSA-N |
Melting Point: | 150 - 153°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Pale Beige Solid |
Storage: | -20°C, Inert atmosphere |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.9519757 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.9519757 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 58.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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