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117377-38-5 | 4-Isothiazolecarbonitrile, 3-amino-5-(ethylamino)-
CAS No: 117377-38-5 Catalog No: AG000E7A MDL No:
Product Description
Catalog Number:
AG000E7A
Chemical Name:
4-Isothiazolecarbonitrile, 3-amino-5-(ethylamino)-
CAS Number:
117377-38-5
Molecular Formula:
C6H8N4S
Molecular Weight:
168.2195
IUPAC Name:
3-amino-5-(ethylamino)-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C6H8N4S/c1-2-9-6-4(3-7)5(8)10-11-6/h9H,2H2,1H3,(H2,8,10)
InChI Key:
BEURHOAFQKHNNQ-UHFFFAOYSA-N
SMILES:
CCNc1snc(c1C#N)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.047g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.218g/mol
Monoisotopic Mass:
168.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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