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79796-24-0 | Trithiazetidinylium
CAS No: 79796-24-0 Catalog No: AG008LCN MDL No:
Product Description
Catalog Number:
AG008LCN
Chemical Name:
Trithiazetidinylium
CAS Number:
79796-24-0
Molecular Formula:
H2NS3+
Molecular Weight:
112.2176
IUPAC Name:
2-thia-1,3-dithionia-4-azanidacyclobutane
InChI:
InChI=1S/H2NS3/c1-2-4-3-1/h2-3H/q+1
InChI Key:
WRRTWKSWAZLVGQ-UHFFFAOYSA-N
SMILES:
N1SS[SH+]1
Properties
Complexity:
17.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.935g/mol
Formal Charge:
1
Heavy Atom Count:
4
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.203g/mol
Monoisotopic Mass:
111.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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