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

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

CAS No.:
855422-98-9
Catalog Number:
AG01BHAD
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
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Product Description
Catalog Number:
AG01BHAD
Chemical Name:
4-(1,3,4-thiadiazol-2-yl)phenol
CAS Number:
855422-98-9
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD24719891
IUPAC Name:
4-(1,3,4-thiadiazol-2-yl)phenol
InChI:
InChI=1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-10-9-5-12-8/h1-5,11H
InChI Key:
OCUFKYAGWBCWFV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1scnn1
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties