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1455-92-1 | 1H-Tetrazole, 5-(methylthio)-1-phenyl-
CAS No: 1455-92-1 Catalog No: AG001D49 MDL No:MFCD00461227
Product Description
Catalog Number:
AG001D49
Chemical Name:
1H-Tetrazole, 5-(methylthio)-1-phenyl-
CAS Number:
1455-92-1
Molecular Formula:
C8H8N4S
Molecular Weight:
192.2409
MDL Number:
MFCD00461227
IUPAC Name:
5-methylsulfanyl-1-phenyltetrazole
InChI:
InChI=1S/C8H8N4S/c1-13-8-9-10-11-12(8)7-5-3-2-4-6-7/h2-6H,1H3
InChI Key:
RPXUSEGLHQMSIM-UHFFFAOYSA-N
SMILES:
CSc1nnnn1c1ccccc1
NSC Number:
141853
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.24g/mol
Monoisotopic Mass:
192.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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