Home Other Building Blocks 3-(5-methylthiophen-2-yl)-2,5-dihydro-1,2,4-thiadiazol-5-imine

3-(5-methylthiophen-2-yl)-2,5-dihydro-1,2,4-thiadiazol-5-imine

CAS No.:
942890-87-1
Catalog Number:
AG01A9NA
Molecular Formula:
C7H7N3S2
Molecular Weight:
197.2806
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Product Description
Catalog Number:
AG01A9NA
Chemical Name:
3-(5-methylthiophen-2-yl)-2,5-dihydro-1,2,4-thiadiazol-5-imine
CAS Number:
942890-87-1
Molecular Formula:
C7H7N3S2
Molecular Weight:
197.2806
MDL Number:
MFCD26143849
IUPAC Name:
3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
InChI:
InChI=1S/C7H7N3S2/c1-4-2-3-5(11-4)6-9-7(8)12-10-6/h2-3H,1H3,(H2,8,9,10)
InChI Key:
BQWKKLSJRZRHII-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)c1[nH]sc(=N)n1
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.008g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.274g/mol
Monoisotopic Mass:
197.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties