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1539619-86-7 | 4-chloro-2-(1-oxo-1lambda4-thiomorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1539619-86-7 Catalog No: AG01C8LM MDL No:MFCD23967843
Product Description
Catalog Number:
AG01C8LM
Chemical Name:
4-chloro-2-(1-oxo-1lambda4-thiomorpholin-4-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1539619-86-7
Molecular Formula:
C8H9ClN2O2S2
Molecular Weight:
264.7523
MDL Number:
MFCD23967843
IUPAC Name:
4-chloro-2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C8H9ClN2O2S2/c9-7-6(5-12)14-8(10-7)11-1-3-15(13)4-2-11/h5H,1-4H2
InChI Key:
XTEAQNGSFPTSOT-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CCS(=O)CC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.742g/mol
Monoisotopic Mass:
263.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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