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793716-07-1 | 4-IMINO-4H-3,1-BENZOTHIAZINE-2-THIOL
CAS No: 793716-07-1 Catalog No: AG00G3TI MDL No:MFCD06364471
Product Description
Catalog Number:
AG00G3TI
Chemical Name:
4-IMINO-4H-3,1-BENZOTHIAZINE-2-THIOL
CAS Number:
793716-07-1
Molecular Formula:
C8H6N2S2
Molecular Weight:
194.2766
MDL Number:
MFCD06364471
IUPAC Name:
4-amino-3,1-benzothiazine-2-thione
InChI:
InChI=1S/C8H6N2S2/c9-7-5-3-1-2-4-6(5)10-8(11)12-7/h1-4H,9H2
InChI Key:
AHBYIQXWJQSZNN-UHFFFAOYSA-N
SMILES:
Sc1nc2ccccc2c(=N)s1
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.997g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.27g/mol
Monoisotopic Mass:
193.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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