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

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

CAS No.:
875237-02-8
Catalog Number:
AG01B1JJ
Molecular Formula:
C8H7N3S
Molecular Weight:
177.2263
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Product Description
Catalog Number:
AG01B1JJ
Chemical Name:
4-(1,3,4-thiadiazol-2-yl)aniline
CAS Number:
875237-02-8
Molecular Formula:
C8H7N3S
Molecular Weight:
177.2263
MDL Number:
MFCD20703578
IUPAC Name:
4-(1,3,4-thiadiazol-2-yl)aniline
InChI:
InChI=1S/C8H7N3S/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H,9H2
InChI Key:
DNCAXUAPNVLRDT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1scnn1
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.036g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.225g/mol
Monoisotopic Mass:
177.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties