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69691-07-2 | Thietane, 3,3-bis(iodomethyl)-
CAS No: 69691-07-2 Catalog No: AG005J5R MDL No:
Product Description
Catalog Number:
AG005J5R
Chemical Name:
Thietane, 3,3-bis(iodomethyl)-
CAS Number:
69691-07-2
Molecular Formula:
C5H8I2S
Molecular Weight:
353.9910
IUPAC Name:
3,3-bis(iodomethyl)thietane
InChI:
InChI=1S/C5H8I2S/c6-1-5(2-7)3-8-4-5/h1-4H2
InChI Key:
YWPRMGCXHNVRRB-UHFFFAOYSA-N
SMILES:
ICC1(CI)CSC1
Properties
Complexity:
74.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.844g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.988g/mol
Monoisotopic Mass:
353.844g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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