2-Amino-6,7-dihydrobenzo[d]thiazol-4(5H)-one - CAS 36234-66-9
Catalog: |
BB054647 |
Product Name: |
2-Amino-6,7-dihydrobenzo[d]thiazol-4(5H)-one |
CAS: |
36234-66-9 |
Synonyms: |
2-Amino-6,7-dihydro-5H-benzothiazol-4-one; 2-Amino-oxo-4,5,6,7-tetrahydrobenzothiazole; 2-Amino-6,7-dihydro-4(5H)-benzothiazolone; 4(5H)-Benzothiazolone, 2-amino-6,7-dihydro-; 2-Amino-6,7-dihydro-1,3-benzothiazol-4(5H)-one |
IUPAC Name: | 2-amino-6,7-dihydro-5H-1,3-benzothiazol-4-one |
Molecular Weight: | 168.22 |
Molecular Formula: | C7H8N2OS |
Canonical SMILES: | C1CC2=C(C(=O)C1)N=C(S2)N |
InChI: | InChI=1S/C7H8N2OS/c8-7-9-6-4(10)2-1-3-5(6)11-7/h1-3H2,(H2,8,9) |
InChI Key: | AYSCUQOLIIAARX-UHFFFAOYSA-N |
Boiling Point: | 376.0±11.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.428±0.06 g/cm3 (Predicted) |
Storage: | Store at 2-8°C, protect from light |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.03573406 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.03573406 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Related Functional Groups
Amines and Anilines
Benzoxazole/Benzothiazole
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