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53515-34-7 | 2-(1,4-THIAZINAN-4-YL)ACETONITRILE
CAS No: 53515-34-7 Catalog No: AG00D872 MDL No:MFCD02089575
Product Description
Catalog Number:
AG00D872
Chemical Name:
2-(1,4-THIAZINAN-4-YL)ACETONITRILE
CAS Number:
53515-34-7
Molecular Formula:
C6H10N2S
Molecular Weight:
142.2220
MDL Number:
MFCD02089575
IUPAC Name:
2-thiomorpholin-4-ylacetonitrile
InChI:
InChI=1S/C6H10N2S/c7-1-2-8-3-5-9-6-4-8/h2-6H2
InChI Key:
GRFZMNDHVADAFL-UHFFFAOYSA-N
SMILES:
N#CCN1CCSCC1
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.22g/mol
Monoisotopic Mass:
142.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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