6-Amino-2(3H)-benzothiazolone - CAS 56354-98-4
Catalog: |
BB029339 |
Product Name: |
6-Amino-2(3H)-benzothiazolone |
CAS: |
56354-98-4 |
Synonyms: |
6-amino-3H-1,3-benzothiazol-2-one; 6-amino-3H-1,3-benzothiazol-2-one |
IUPAC Name: | 6-amino-3H-1,3-benzothiazol-2-one |
Description: | 6-Amino-2(3H)-benzothiazolone (CAS# 56354-98-4) is a useful research chemical. |
Molecular Weight: | 166.20 |
Molecular Formula: | C7H6N2OS |
Canonical SMILES: | C1=CC2=C(C=C1N)SC(=O)N2 |
InChI: | InChI=1S/C7H6N2OS/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,8H2,(H,9,10) |
InChI Key: | CLYCLRFHPKKUBR-UHFFFAOYSA-N |
Density: | 1.473 g/cm3 |
LogP: | 1.75300 |
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 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2020130214-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
KR-20200076808-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20181219 |
KR-102128509-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20181219 |
EP-3901139-A1 | Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof | 20181219 |
Complexity: | 185 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.02008399 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.02008399 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 80.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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