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309283-44-1 | Ethanone, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-cyclopropyl-
CAS No: 309283-44-1 Catalog No: AG0031P0 MDL No:MFCD01626993
Product Description
Catalog Number:
AG0031P0
Chemical Name:
Ethanone, 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-cyclopropyl-
CAS Number:
309283-44-1
Molecular Formula:
C7H9N3OS2
Molecular Weight:
215.2959
MDL Number:
MFCD01626993
IUPAC Name:
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-cyclopropylethanone
InChI:
InChI=1S/C7H9N3OS2/c8-6-9-10-7(13-6)12-3-5(11)4-1-2-4/h4H,1-3H2,(H2,8,9)
InChI Key:
YZCTXNOTTHVMPI-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)CSc1nnc(s1)N
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.289g/mol
Monoisotopic Mass:
215.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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