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Home > Other Heterocycles > 7035-94-1
7035-94-1 | 8-(hydroxymethyl)-9-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
CAS No: 7035-94-1 Catalog No: AG005JV4 MDL No:
Product Description
Catalog Number:
AG005JV4
Chemical Name:
8-(hydroxymethyl)-9-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
CAS Number:
7035-94-1
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
IUPAC Name:
2-(hydroxymethyl)-1,2-benzothiazol-3-one
InChI:
InChI=1S/C8H7NO2S/c10-5-9-8(11)6-3-1-2-4-7(6)12-9/h1-4,10H,5H2
InChI Key:
CUNHGCGTIAEQRA-UHFFFAOYSA-N
SMILES:
OCn1sc2c(c1=O)cccc2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Synthesis and antibacterial activity of 2,2'-dithiobis(benzamide) derivatives against Mycobacterium species. | Journal of medicinal chemistry 19851201 |
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