Home Halogens 5-bromo-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]aniline

5-bromo-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]aniline

CAS No.:
1019453-67-8
Catalog Number:
AG01A84Q
Molecular Formula:
C8H8BrN5S
Molecular Weight:
286.1516
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Product Description
Catalog Number:
AG01A84Q
Chemical Name:
5-bromo-2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]aniline
CAS Number:
1019453-67-8
Molecular Formula:
C8H8BrN5S
Molecular Weight:
286.1516
MDL Number:
MFCD11132299
IUPAC Name:
5-bromo-2-(1-methyltetrazol-5-yl)sulfanylaniline
InChI:
InChI=1S/C8H8BrN5S/c1-14-8(11-12-13-14)15-7-3-2-5(9)4-6(7)10/h2-4H,10H2,1H3
InChI Key:
UYWGGGQHYYUZPJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)N)Sc1nnnn1C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.968g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.151g/mol
Monoisotopic Mass:
284.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties