Home Other Building Blocks 1-octyl-2-sulfanylidene-1,3-diazinane-4,6-dione

1-octyl-2-sulfanylidene-1,3-diazinane-4,6-dione

CAS No.:
734543-00-1
Catalog Number:
AG019I9Y
Molecular Formula:
C12H20N2O2S
Molecular Weight:
256.3644
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Product Description
Catalog Number:
AG019I9Y
Chemical Name:
1-octyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CAS Number:
734543-00-1
Molecular Formula:
C12H20N2O2S
Molecular Weight:
256.3644
MDL Number:
MFCD03987290
IUPAC Name:
1-octyl-2-sulfanylidene-1,3-diazinane-4,6-dione
InChI:
InChI=1S/C12H20N2O2S/c1-2-3-4-5-6-7-8-14-11(16)9-10(15)13-12(14)17/h2-9H2,1H3,(H,13,15,17)
InChI Key:
QLDNKOIAHZVBLU-UHFFFAOYSA-N
SMILES:
CCCCCCCCN1C(=O)CC(=O)NC1=S
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.125g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.364g/mol
Monoisotopic Mass:
256.125g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties