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1516-32-1 | Thiourea, N-butyl-
CAS No: 1516-32-1 Catalog No: AG001NFR MDL No:MFCD00022173
Product Description
Catalog Number:
AG001NFR
Chemical Name:
Thiourea, N-butyl-
CAS Number:
1516-32-1
Molecular Formula:
C5H12N2S
Molecular Weight:
132.2272
MDL Number:
MFCD00022173
IUPAC Name:
butylthiourea
InChI:
InChI=1S/C5H12N2S/c1-2-3-4-7-5(6)8/h2-4H2,1H3,(H3,6,7,8)
InChI Key:
GMEGXJPUFRVCPX-UHFFFAOYSA-N
SMILES:
CCCCNC(=S)N
EC Number:
216-165-9
UNII:
4DX8I3D6G6
NSC Number:
202953
Properties
Complexity:
72.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.072g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
132.225g/mol
Monoisotopic Mass:
132.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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