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281204-90-8 | 4-IODOTETRAHYDROTHIOPYRAN
CAS No: 281204-90-8 Catalog No: AG00C1TX MDL No:MFCD09025908
Product Description
Catalog Number:
AG00C1TX
Chemical Name:
4-IODOTETRAHYDROTHIOPYRAN
CAS Number:
281204-90-8
Molecular Formula:
C5H9IS
Molecular Weight:
228.0944
MDL Number:
MFCD09025908
IUPAC Name:
4-iodothiane
InChI:
InChI=1S/C5H9IS/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChI Key:
JVBIONNYIWEILC-UHFFFAOYSA-N
SMILES:
IC1CCSCC1
Properties
Complexity:
50
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.947g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.091g/mol
Monoisotopic Mass:
227.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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