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499771-08-3 | 3-(METHYLSULFONYL)-5-(2-THIENYL)ISOXAZOLE-4-CARBONITRILE
CAS No: 499771-08-3 Catalog No: AG00D9NB MDL No:MFCD00104527
Product Description
Catalog Number:
AG00D9NB
Chemical Name:
3-(METHYLSULFONYL)-5-(2-THIENYL)ISOXAZOLE-4-CARBONITRILE
CAS Number:
499771-08-3
Molecular Formula:
C9H6N2O3S2
Molecular Weight:
254.2855
MDL Number:
MFCD00104527
IUPAC Name:
3-methylsulfonyl-5-thiophen-2-yl-1,2-oxazole-4-carbonitrile
InChI:
InChI=1S/C9H6N2O3S2/c1-16(12,13)9-6(5-10)8(14-11-9)7-3-2-4-15-7/h2-4H,1H3
InChI Key:
AUGCXHGHBGBAMF-UHFFFAOYSA-N
SMILES:
N#Cc1c(onc1S(=O)(=O)C)c1cccs1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.982g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.278g/mol
Monoisotopic Mass:
253.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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