Indium tris[bis(trifluoromethanesulfonyl)azanide]

CAS Number: 460096-11-1

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O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O.O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O.O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O.[In+3]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

In.C2NO4F6S2.C2NO4F6S2.C2NO4F6S2

Molecular Weight

280.145

Drug-likeness

-20.032

CAS

460096-11-1

InChI key

LBZQGHUURRSWEH-UHFFFAOYSA-N

SMILES

O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O.O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O.O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O.[In+3]

ChemrytIQ

CAS Information Snapshot

1 database item

Mutagenic

none

Tumorigenic

none

Handling Watch

Irritant: none | Reproductive effective: none

Molecule Information
Related CAS

Property	Value
CAS Number	460096-11-1
Molecule Name	Indium tris[bis(trifluoromethanesulfonyl)azanide]
Molecular Formula	In.C2NO4F6S2.C2NO4F6S2.C2NO4F6S2
SMILES	O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O.O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O.O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O.[In+3]
InChI	InChI=1S/3C2F6NO4S2.In/c33-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q3-1;+3
InChI Key	LBZQGHUURRSWEH-UHFFFAOYSA-N
CanonicalSyTyLFy	ae92543ef41cb8c7
TotalMolweight	955.255
Molecular Weight	280.145
MonoisotopicMass	279.917292
CLogP	3.0694
CLogS	-1.413
H Acceptors	5
TotalSurfaceArea	129.58
Relative PSA	0.44112
PolarSurfaceArea	85.04
Drug-likeness	-20.032
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.46667
Molecula Flexibility	0.88168
Molecular Complexity	0.52337
Fragments	4
Non HAtoms	15
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	2
Sp3Atoms	4
Symmetricatoms	10
Amides	1

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
100-97-0	high	high	high	C6H12N4	140.189	1.5849	ChemrytIQ
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