Home Other Building Blocks 3-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]aniline

3-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]aniline

CAS No.:
1173146-92-3
Catalog Number:
AG01A754
Molecular Formula:
C8H9N5S
Molecular Weight:
207.2556
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Product Description
Catalog Number:
AG01A754
Chemical Name:
3-[5-(methylsulfanyl)-1H-1,2,3,4-tetrazol-1-yl]aniline
CAS Number:
1173146-92-3
Molecular Formula:
C8H9N5S
Molecular Weight:
207.2556
MDL Number:
MFCD16622021
IUPAC Name:
3-(5-methylsulfanyltetrazol-1-yl)aniline
InChI:
InChI=1S/C8H9N5S/c1-14-8-10-11-12-13(8)7-4-2-3-6(9)5-7/h2-5H,9H2,1H3
InChI Key:
AWOZMYKEBAMZQC-UHFFFAOYSA-N
SMILES:
CSc1nnnn1c1cccc(c1)N
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.255g/mol
Monoisotopic Mass:
207.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties