5-Chloro-2-mercaptobenzoxazole - CAS 22876-19-3
Catalog: |
BB017787 |
Product Name: |
5-Chloro-2-mercaptobenzoxazole |
CAS: |
22876-19-3 |
Synonyms: |
5-chloro-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 5-chloro-3H-1,3-benzoxazole-2-thione |
Description: | 5-Chloro-2-mercaptobenzoxazole (CAS# 22876-19-3) is a useful research chemical. |
Molecular Weight: | 185.63 |
Molecular Formula: | C7H4ClNOS |
Canonical SMILES: | C1=CC2=C(C=C1Cl)NC(=S)O2 |
InChI: | InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11) |
InChI Key: | BOBIZYYFYLLRAH-UHFFFAOYSA-N |
Boiling Point: | 278.7 °C at 760 mmHg |
Density: | 1.57 g/cm3 |
MDL: | MFCD00175241 |
LogP: | 2.76990 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113185511-A | Pyrimidine compound and preparation method and application thereof | 20210524 |
CN-111072583-A | Biaryl axial chiral heterocyclic sulfide and synthesis method and application thereof | 20191224 |
JP-2018130652-A | Polymer flocculant | 20170214 |
KR-102060983-B1 | Electroless copper plating compositions | 20170123 |
KR-20180087144-A | Electroless copper plating compositions | 20170123 |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.9702126 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.9702126 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Related Functional Groups
Benzoxazole/Benzothiazole
Oxazole/Thiazole
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