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88258-64-4 | 1,4-Oxathiin-3-carbonitrile, 5,6-dihydro-2-methyl-
CAS No: 88258-64-4 Catalog No: AG004APY MDL No:
Product Description
Catalog Number:
AG004APY
Chemical Name:
1,4-Oxathiin-3-carbonitrile, 5,6-dihydro-2-methyl-
CAS Number:
88258-64-4
Molecular Formula:
C6H7NOS
Molecular Weight:
141.1909
IUPAC Name:
6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonitrile
InChI:
InChI=1S/C6H7NOS/c1-5-6(4-7)9-3-2-8-5/h2-3H2,1H3
InChI Key:
FBKSNJAWMCXEQM-UHFFFAOYSA-N
SMILES:
N#CC1=C(C)OCCS1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.188g/mol
Monoisotopic Mass:
141.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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