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1452-15-9 | 4-Cyanothiazole
CAS No: 1452-15-9 Catalog No: AG007K3E MDL No:MFCD00137817
Product Description
Catalog Number:
AG007K3E
Chemical Name:
4-Cyanothiazole
CAS Number:
1452-15-9
Molecular Formula:
C4H2N2S
Molecular Weight:
110.1371
MDL Number:
MFCD00137817
IUPAC Name:
1,3-thiazole-4-carbonitrile
InChI:
InChI=1S/C4H2N2S/c5-1-4-2-7-3-6-4/h2-3H
InChI Key:
PNAFRZGWUVQUKH-UHFFFAOYSA-N
SMILES:
c1scnc1C#N
EC Number:
215-919-4
UNII:
F11233V4YM
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.994g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.134g/mol
Monoisotopic Mass:
109.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis of the thiazole-thiazoline fragment of largazole analogues. | The Journal of organic chemistry 20111202 |
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