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Home > Nitro Compounds > 157768-92-8
157768-92-8 | Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-
CAS No: 157768-92-8 Catalog No: AG001PO8 MDL No:
Product Description
Catalog Number:
AG001PO8
Chemical Name:
Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-
CAS Number:
157768-92-8
Molecular Formula:
C14H10N2O2S2
Molecular Weight:
302.3714
IUPAC Name:
2-[(3-nitrophenyl)methylsulfanyl]-1,3-benzothiazole
InChI:
InChI=1S/C14H10N2O2S2/c17-16(18)11-5-3-4-10(8-11)9-19-14-15-12-6-1-2-7-13(12)20-14/h1-8H,9H2
InChI Key:
RUKMOTVBCYHOCZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CSc1nc2c(s1)cccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.366g/mol
Monoisotopic Mass:
302.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Heterocyclic benzazole derivatives with antimycobacterial in vitro activity. | Bioorganic & medicinal chemistry letters 20021118 |
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