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
10003-69-7	none	none	none	C10H14O8S4	390.477	0.2775	ChemrytIQ
1000160-75-7	none	none	low	C14H17O2BS	260.164	-20.35	ChemrytIQ
1000339-23-0	none	none	none	C6H5N2O2Br	217.022	-3.3311	ChemrytIQ
100-34-5	none	none	none	Cl.C6H5N2	105.12	-4.365	ChemrytIQ
1000018-23-4	none	none	none	C12H17N3O3	251.285	2.8124	ChemrytIQ
1000018-58-5	none	none	none	C6H4NBr2Cl	285.366	-3.6	ChemrytIQ
100-29-8	none	none	none	C8H9NO3	167.163	-8.928	ChemrytIQ
1000-78-8	high	low	none	C11H24N2	184.326	-10.254	ChemrytIQ
10-18-2004	none	none	none	C6H8OS2	160.261	-3.1913	ChemrytIQ
100011-00-5	none	none	none	C15H24O2	236.354	-18.044	ChemrytIQ
1000166-63-1	none	high	none	C20H23N8O2Br	487.361	-0.90793	ChemrytIQ
1000339-55-8	none	none	none	C9H7O2F3	204.147	-12.197	ChemrytIQ
100007-67-8	high	none	low	C5H7OClF2	156.559	-12.702	ChemrytIQ
1000018-71-2	none	none	high	C14H19N3O4	293.322	-2.5213	ChemrytIQ
100-26-5	none	none	none	C7H5NO4	167.12	-1.5746	ChemrytIQ
100-51-6	high	high	high	C7H8O	108.14	-2.2456	ChemrytIQ
100-12-9	none	none	none	C8H9NO2	151.164	-7.7443	ChemrytIQ
1000018-52-9	none	none	none	C11H12N2O2S2	268.36	1.3179	ChemrytIQ
100010-99-9	none	none	none	C11H24O2	188.31	-23.185	ChemrytIQ
10001-46-4	none	none	none	C9H11N3O3	209.204	1.9565	ChemrytIQ
1000120-98-8	high	none	high	C230H305N67O122P19S19	7158.06	-20.81	ChemrytIQ
100-57-2	high	low	low	C6H6OHg	294.703	-2.3891	ChemrytIQ
1000-77-7	high	high	none	HCl.C6H15NO6S2	261.318	1.5333	ChemrytIQ
1000017-94-6	none	none	none	C8H5N2O2Cl	196.593	2.9136	ChemrytIQ
100013-07-8	none	none	none	C18H32B.Li	259.263	-11.013	ChemrytIQ
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1000-16-4	none	none	none	C13H30NO3P	279.359	-34.244	ChemrytIQ
100-18-5	none	none	none	C12H18	162.275	-2.5088	ChemrytIQ
10000-51-8	none	none	none	C14H15NO3	245.277	0.10503	ChemrytIQ
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100012-67-7	high	high	high	C12H12O5	236.222	-19.846	ChemrytIQ
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1000-40-4	high	none	low	C10H24S2Sn	327.143	-7.0269	ChemrytIQ
1000296-71-8	none	none	high	C19H27NO8S3	493.62	-2.9952	ChemrytIQ
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1000339-45-6	none	none	high	C8H14O2F2	180.193	-28.199	ChemrytIQ
100008-36-4	none	none	none	C17H22O2	258.36	-5.6379	ChemrytIQ
100-00-5	none	none	none	C6H4NO2Cl	157.556	-7.4592	ChemrytIQ
1000-70-0	none	low	high	C7H18N2Si2	186.406	-43.673	ChemrytIQ
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1000-43-7	high	high	high	C8H18Cl2Si	213.223	-31.848	ChemrytIQ
100033-59-8	none	none	none	C8H16N2	140.229	0.9406	ChemrytIQ
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100-54-9	none	none	none	C6H4N2	104.112	-6.0498	ChemrytIQ
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100021-05-4	none	none	none	C21H28O2	312.451	0.95307	ChemrytIQ
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100-44-7	high	high	none	C7H7Cl	126.586	-2.365	ChemrytIQ
100-50-5	none	none	high	C7H10O	110.155	-9.6048	ChemrytIQ
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