Home Other Building Blocks 2-CHLORO-1-(1,2,3-THIADIAZOL-4-YL)ETHAN-1-ONE

2-CHLORO-1-(1,2,3-THIADIAZOL-4-YL)ETHAN-1-ONE

CAS No.:
1518319-15-7
Catalog Number:
AG01DVI7
Molecular Formula:
C4H3ClN2OS
Molecular Weight:
162.5974
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Product Description
Catalog Number:
AG01DVI7
Chemical Name:
2-CHLORO-1-(1,2,3-THIADIAZOL-4-YL)ETHAN-1-ONE
CAS Number:
1518319-15-7
Molecular Formula:
C4H3ClN2OS
Molecular Weight:
162.5974
MDL Number:
MFCD23844972
IUPAC Name:
2-chloro-1-(thiadiazol-4-yl)ethanone
InChI:
InChI=1S/C4H3ClN2OS/c5-1-4(8)3-2-9-7-6-3/h2H,1H2
InChI Key:
WELNPDQFKFEFFA-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1csnn1
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.965g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.591g/mol
Monoisotopic Mass:
161.965g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties