Home Nitriles 4-acetylthiomorpholine-3-carbonitrile

4-acetylthiomorpholine-3-carbonitrile

CAS No.:
1849364-63-1
Catalog Number:
AG01EJQF
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
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Product Description
Catalog Number:
AG01EJQF
Chemical Name:
4-acetylthiomorpholine-3-carbonitrile
CAS Number:
1849364-63-1
Molecular Formula:
C7H10N2OS
Molecular Weight:
170.2321
MDL Number:
MFCD31736537
IUPAC Name:
4-acetylthiomorpholine-3-carbonitrile
InChI:
InChI=1S/C7H10N2OS/c1-6(10)9-2-3-11-5-7(9)4-8/h7H,2-3,5H2,1H3
InChI Key:
AIDWVBZVZROJIL-UHFFFAOYSA-N
SMILES:
N#CC1CSCCN1C(=O)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.051g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.23g/mol
Monoisotopic Mass:
170.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties