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95-31-8 | S-(Benzo[d]thiazol-2-yl)-N-(tert-butyl)thiohydroxylamine
CAS No: 95-31-8 Catalog No: AG003U67 MDL No:MFCD00022873
Product Description
Catalog Number:
AG003U67
Chemical Name:
S-(Benzo[d]thiazol-2-yl)-N-(tert-butyl)thiohydroxylamine
CAS Number:
95-31-8
Molecular Formula:
C11H14N2S2
Molecular Weight:
238.3723
MDL Number:
MFCD00022873
IUPAC Name:
N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
InChI:
InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3
InChI Key:
IUJLOAKJZQBENM-UHFFFAOYSA-N
SMILES:
CC(NSc1nc2c(s1)cccc2)(C)C
EC Number:
202-409-1
UNII:
W468IFJ99C
NSC Number:
84176
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.367g/mol
Monoisotopic Mass:
238.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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