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493-64-1 | 4H-3,1-BENZOTHIAZINE-2-THIOL
CAS No: 493-64-1 Catalog No: AG00DBBU MDL No:MFCD07339560
Product Description
Catalog Number:
AG00DBBU
Chemical Name:
4H-3,1-BENZOTHIAZINE-2-THIOL
CAS Number:
493-64-1
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
MDL Number:
MFCD07339560
IUPAC Name:
1,4-dihydro-3,1-benzothiazine-2-thione
InChI:
InChI=1S/C8H7NS2/c10-8-9-7-4-2-1-3-6(7)5-11-8/h1-4H,5H2,(H,9,10)
InChI Key:
CFQKBLDAMMCXOM-UHFFFAOYSA-N
SMILES:
SC1=Nc2c(CS1)cccc2
NSC Number:
202927
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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