Home Other Building Blocks 4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline

CAS No.:
1019121-55-1
Catalog Number:
AG01A7C7
Molecular Formula:
C8H7N3S2
Molecular Weight:
209.2913
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Product Description
Catalog Number:
AG01A7C7
Chemical Name:
4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CAS Number:
1019121-55-1
Molecular Formula:
C8H7N3S2
Molecular Weight:
209.2913
MDL Number:
MFCD11132429
IUPAC Name:
4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
InChI:
InChI=1S/C8H7N3S2/c9-6-1-3-7(4-2-6)13-8-11-10-5-12-8/h1-5H,9H2
InChI Key:
XQYYWSFSSCBHGH-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1scnn1
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.008g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.285g/mol
Monoisotopic Mass:
209.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties