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87149-81-3 | Acetamide, N-[3-(1,3-dithian-2-ylmethyl)-4-isoxazolyl]-
CAS No: 87149-81-3 Catalog No: AG004KIP MDL No:
Product Description
Catalog Number:
AG004KIP
Chemical Name:
Acetamide, N-[3-(1,3-dithian-2-ylmethyl)-4-isoxazolyl]-
CAS Number:
87149-81-3
Molecular Formula:
C10H14N2O2S2
Molecular Weight:
258.3604
IUPAC Name:
N-[3-(1,3-dithian-2-ylmethyl)-1,2-oxazol-4-yl]acetamide
InChI:
InChI=1S/C10H14N2O2S2/c1-7(13)11-9-6-14-12-8(9)5-10-15-3-2-4-16-10/h6,10H,2-5H2,1H3,(H,11,13)
InChI Key:
BPLFSRFWSWLVAB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1conc1CC1SCCCS1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.354g/mol
Monoisotopic Mass:
258.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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