Home Other Building Blocks 1,3-OXAZINANE-2-THIONE

1,3-OXAZINANE-2-THIONE

CAS No.:
17374-18-4
Catalog Number:
AG01DYV6
Molecular Formula:
C4H7NOS
Molecular Weight:
117.1695
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Product Description
Catalog Number:
AG01DYV6
Chemical Name:
1,3-OXAZINANE-2-THIONE
CAS Number:
17374-18-4
Molecular Formula:
C4H7NOS
Molecular Weight:
117.1695
MDL Number:
MFCD19216824
IUPAC Name:
1,3-oxazinane-2-thione
InChI:
InChI=1S/C4H7NOS/c7-4-5-2-1-3-6-4/h1-3H2,(H,5,7)
InChI Key:
OCWDJXKSTXCEOU-UHFFFAOYSA-N
SMILES:
S=C1NCCCO1
Properties
Complexity:
83.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.025g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
117.166g/mol
Monoisotopic Mass:
117.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties