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84654-04-6 | Isoxazole, 5-[bis(methylthio)methyl]-3-methyl-
CAS No: 84654-04-6 Catalog No: AG0050FD MDL No:
Product Description
Catalog Number:
AG0050FD
Chemical Name:
Isoxazole, 5-[bis(methylthio)methyl]-3-methyl-
CAS Number:
84654-04-6
Molecular Formula:
C7H11NOS2
Molecular Weight:
189.2983
IUPAC Name:
5-[bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole
InChI:
InChI=1S/C7H11NOS2/c1-5-4-6(9-8-5)7(10-2)11-3/h4,7H,1-3H3
InChI Key:
OUCWGJVDRZVKLZ-UHFFFAOYSA-N
SMILES:
CSC(c1onc(c1)C)SC
NSC Number:
609762
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.291g/mol
Monoisotopic Mass:
189.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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