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141666-61-7 | 2H-Thiopyran-3(6H)-one, 5-iodo-4-methyl-
CAS No: 141666-61-7 Catalog No: AG007Z78 MDL No:
Product Description
Catalog Number:
AG007Z78
Chemical Name:
2H-Thiopyran-3(6H)-one, 5-iodo-4-methyl-
CAS Number:
141666-61-7
Molecular Formula:
C6H7IOS
Molecular Weight:
254.0887
IUPAC Name:
3-iodo-4-methyl-2H-thiopyran-5-one
InChI:
InChI=1S/C6H7IOS/c1-4-5(7)2-9-3-6(4)8/h2-3H2,1H3
InChI Key:
WJAYGIVATQWDIT-UHFFFAOYSA-N
SMILES:
CC1=C(I)CSCC1=O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.926g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.085g/mol
Monoisotopic Mass:
253.926g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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