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307545-27-3 | 1H-1,2,4-Triazole, 5-[[(3-methylphenyl)methyl]thio]-
CAS No: 307545-27-3 Catalog No: AG003166 MDL No:MFCD01568454
Product Description
Catalog Number:
AG003166
Chemical Name:
1H-1,2,4-Triazole, 5-[[(3-methylphenyl)methyl]thio]-
CAS Number:
307545-27-3
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD01568454
IUPAC Name:
5-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole
InChI:
InChI=1S/C10H11N3S/c1-8-3-2-4-9(5-8)6-14-10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13)
InChI Key:
SNOLZXFLVLBGMX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)CSc1ncn[nH]1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.279g/mol
Monoisotopic Mass:
205.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antimycobacterial activity of 1,2,4-triazole 3-benzylsulfanyl derivatives. | Farmaco (Societa chimica italiana : 1989) 20040401 |
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