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287472-26-8 | Pyrimidine, 5-(4-chloro-1,2,5-thiadiazol-3-yl)-
CAS No: 287472-26-8 Catalog No: AG002WBY MDL No:MFCD21276419
Product Description
Catalog Number:
AG002WBY
Chemical Name:
Pyrimidine, 5-(4-chloro-1,2,5-thiadiazol-3-yl)-
CAS Number:
287472-26-8
Molecular Formula:
C6H3ClN4S
Molecular Weight:
198.6328
MDL Number:
MFCD21276419
IUPAC Name:
3-chloro-4-pyrimidin-5-yl-1,2,5-thiadiazole
InChI:
InChI=1S/C6H3ClN4S/c7-6-5(10-12-11-6)4-1-8-3-9-2-4/h1-3H
InChI Key:
XZGFXNIBEVYAOL-UHFFFAOYSA-N
SMILES:
Clc1nsnc1c1cncnc1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.977g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.628g/mol
Monoisotopic Mass:
197.977g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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