Home Nitriles 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile

CAS No.:
1000933-55-0
Catalog Number:
AG019LL7
Molecular Formula:
C6H7N3S2
Molecular Weight:
185.2699
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Product Description
Catalog Number:
AG019LL7
Chemical Name:
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile
CAS Number:
1000933-55-0
Molecular Formula:
C6H7N3S2
Molecular Weight:
185.2699
MDL Number:
MFCD09946284
IUPAC Name:
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile
InChI:
InChI=1S/C6H7N3S2/c1-4-5(10-3-2-7)11-6(8)9-4/h3H2,1H3,(H2,8,9)
InChI Key:
NYHFYHGWZWEWBU-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1SCC#N)N
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.008g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.263g/mol
Monoisotopic Mass:
185.008g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties