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
1000018-59-6	none	none	low	C10H15O2BrS	279.197	-14.078	ChemrytIQ
1000-40-4	high	none	low	C10H24S2Sn	327.143	-7.0269	ChemrytIQ
1000-43-7	high	high	high	C8H18Cl2Si	213.223	-31.848	ChemrytIQ
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1000152-84-0	none	none	none	C6H2NBr2F3	304.891	-10.75	ChemrytIQ
1000-58-4	high	high	high	C4H8Cl4Si	226.006	-54.611	ChemrytIQ
100008-90-0	none	none	none	C12H11N3O3	245.237	-1.9187	ChemrytIQ
100-16-3	low	high	none	C6H7N3O2	153.141	-9.8627	ChemrytIQ
100-04-9	none	high	none	Cl.C8H10N3	148.188	-2.0275	ChemrytIQ
1000-84-6	none	none	high	C4H9NO	87.1215	-6.3779	ChemrytIQ
1000-68-6	none	none	none	C3H9NO3S2	171.24	-3.0843	ChemrytIQ
1000018-26-7	none	none	none	C16H23NO3	277.363	-15.052	ChemrytIQ
100-90-3	none	none	none	C14H16N4O3S	320.372	4.7301	ChemrytIQ
100-67-4	none	none	none	K.C6H5O	93.1047	-2.2548	ChemrytIQ
1000339-51-4	none	none	none	C7H4NO4F	185.11	-8.2861	ChemrytIQ
10001-08-8	none	none	high	C11H22N2O	198.309	-3.1037	ChemrytIQ
100-23-2	none	high	none	C8H10N2O2	166.179	-5.0759	ChemrytIQ
100005-12-7	none	none	low	C11H10NCl	191.66	2.2675	ChemrytIQ
100-65-2	high	none	none	C6H7NO	109.128	-1.548	ChemrytIQ
100-21-0	high	none	high	C8H6O4	166.132	-1.8442	ChemrytIQ
100020-83-5	none	none	low	C7H11O3B	153.972	-20.814	ChemrytIQ
1000339-31-0	none	none	high	C12H16NCl	209.719	0.65299	ChemrytIQ
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100-40-3	none	none	high	C8H12	108.183	-9.1684	ChemrytIQ
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100-49-2	none	none	none	C7H14O	114.187	-9.3679	ChemrytIQ
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10001-13-5	none	none	high	C12H22N2O	210.32	3.9217	ChemrytIQ
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100-55-0	none	none	none	C6H7NO	109.128	-1.9045	ChemrytIQ
1000-46-0	none	none	none	C7H18Ge	174.83	-4.6976	ChemrytIQ
100-18-5	none	none	none	C12H18	162.275	-2.5088	ChemrytIQ
100-63-0	high	high	none	C6H8N2	108.144	-4.3224	ChemrytIQ
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100-33-4	none	none	none	C19H24N4O2	340.426	-7.2784	ChemrytIQ
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1000068-25-6	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
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100007-54-3	none	none	none	C28H30O13	574.533	-1.9839	ChemrytIQ
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