7-Chloro-2-mercaptobenzoxazole - CAS 51793-93-2
Catalog: |
BB027597 |
Product Name: |
7-Chloro-2-mercaptobenzoxazole |
CAS: |
51793-93-2 |
Synonyms: |
7-chloro-3H-1,3-benzoxazole-2-thione |
IUPAC Name: | 7-chloro-3H-1,3-benzoxazole-2-thione |
Description: | 7-Chloro-2-mercaptobenzoxazole (CAS# 51793-93-2) is a useful research chemical. |
Molecular Weight: | 185.63 |
Molecular Formula: | C7H4ClNOS |
Canonical SMILES: | C1=CC2=C(C(=C1)Cl)OC(=S)N2 |
InChI: | InChI=1S/C7H4ClNOS/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H,9,11) |
InChI Key: | XXRDNTGJMQMSLW-UHFFFAOYSA-N |
Boiling Point: | 286.7 °C at 760 mmHg |
Density: | 1.57 g/cm3 |
Appearance: | Light brown powder |
MDL: | MFCD08282770 |
LogP: | 2.76990 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017316742-A1 | Antibiotic compounds | 20160822 |
US-2019194179-A1 | Antibiotic compounds | 20160822 |
CN-105431427-A | Novel PDE4 inhibitor | 20130710 |
CN-105431427-B | Novel PDE 4 inhibitor | 20130710 |
AU-2006331917-A1 | Orally active purine-based inhibitors of heat shock protein 90 | 20051222 |
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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