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857958-14-6 | 2,4,5-Thiazoletricarbonitrile
CAS No: 857958-14-6 Catalog No: AG004RM7 MDL No:
Product Description
Catalog Number:
AG004RM7
Chemical Name:
2,4,5-Thiazoletricarbonitrile
CAS Number:
857958-14-6
Molecular Formula:
C6N4S
Molecular Weight:
160.1560
IUPAC Name:
1,3-thiazole-2,4,5-tricarbonitrile
InChI:
InChI=1S/C6N4S/c7-1-4-5(2-8)11-6(3-9)10-4
InChI Key:
QHXJYYKFCBKDNT-UHFFFAOYSA-N
SMILES:
N#Cc1nc(c(s1)C#N)C#N
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.154g/mol
Monoisotopic Mass:
159.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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