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25056-68-2 | Thiourea, N,N'-bis(4-butylphenyl)-
CAS No: 25056-68-2 Catalog No: AG002QAZ MDL No:
Product Description
Catalog Number:
AG002QAZ
Chemical Name:
Thiourea, N,N'-bis(4-butylphenyl)-
CAS Number:
25056-68-2
Molecular Formula:
C21H28N2S
Molecular Weight:
340.5254
IUPAC Name:
1,3-bis(4-butylphenyl)thiourea
InChI:
InChI=1S/C21H28N2S/c1-3-5-7-17-9-13-19(14-10-17)22-21(24)23-20-15-11-18(12-16-20)8-6-4-2/h9-16H,3-8H2,1-2H3,(H2,22,23,24)
InChI Key:
YWLKYPUCVSNTPX-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)NC(=S)Nc1ccc(cc1)CCCC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.197g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
340.529g/mol
Monoisotopic Mass:
340.197g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Symmetrical and unsymmetrical analogues of isoxyl; active agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20060915 |
| Antimycobacterial activities of isoxyl and new derivatives through the inhibition of mycolic acid synthesis. | Antimicrobial agents and chemotherapy 19990501 |
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