Aluminiumato(2-) sulfamatato(2-) sulfurimidatato(2-)--sulfamato(2-) (1/1/1/1)

CAS Number: 90605-19-9

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NS([O-])(=O)=O.NS(O)(=O)=O.N=S([O-])([O-])=O.[Al+3]

Molecule Information

Mutagenic: none Tumorigenic: none Irritant: none

Formula

HNO3S.H3NO3S.H2NO3S.Al

Molecular Weight

95.0779

Drug-likeness

-4.185

CAS

90605-19-9

InChI key

NLXYLZCLIHHPMA-UHFFFAOYSA-K

SMILES

NS([O-])(=O)=O.NS(O)(=O)=O.N=S([O-])([O-])=O.[Al+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	90605-19-9
Molecule Name	Aluminiumato(2-) sulfamatato(2-) sulfurimidatato(2-)--sulfamato(2-) (1/1/1/1)
Molecular Formula	HNO3S.H3NO3S.H2NO3S.Al
SMILES	NS([O-])(=O)=O.NS(O)(=O)=O.N=S([O-])([O-])=O.[Al+3]
InChI	InChI=1S/Al.3H3NO3S/c;31-5(2,3)4/h;3(H3,1,2,3,4)/q+3;;;/p-3
InChI Key	NLXYLZCLIHHPMA-UHFFFAOYSA-K
CanonicalSyTyLFy	9a50dc3c254a82c6
TotalMolweight	315.24
Molecular Weight	95.0779
MonoisotopicMass	94.967714
CLogP	-5.3797
CLogS	1.328
H Acceptors	4
H Donors	1
TotalSurfaceArea	59.7
Relative PSA	1
PolarSurfaceArea	95.42
Drug-likeness	-4.185
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Complexity	0.80472
Fragments	4
Non HAtoms	5
NonCHAtoms	5
Electronegative Atoms	5
Sp3Atoms	3
Symmetricatoms	1

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CAS Number	Mutagenic	Tumorigenic	Irritant	Molecule Formula	Mol Weight	Druglikeness	ChemrytIQ
1000-23-3	high	high	low	C4H6O4Cl2Sn	307.704	-8.6766	ChemrytIQ
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100020-95-9	high	none	low	C12H17OCl	212.719	-11.962	ChemrytIQ
100-56-1	high	low	low	C6H5ClHg	313.149	-2.3575	ChemrytIQ
100-97-0	high	high	high	C6H12N4	140.189	1.5849	ChemrytIQ
1000010-11-6	none	none	none	C28H44N2O2	440.669	-21.689	ChemrytIQ
100012-67-7	high	high	high	C12H12O5	236.222	-19.846	ChemrytIQ
1000017-94-6	none	none	none	C8H5N2O2Cl	196.593	2.9136	ChemrytIQ
10-13-2009	none	none	none	C15H14O5	274.271	-1.4702	ChemrytIQ
1000025-92-2	none	none	none	C20H16N2O2	316.359	-6.3825	ChemrytIQ
100-53-8	none	high	high	C7H8S	124.207	-6.3177	ChemrytIQ
1000339-13-8	low	none	low	C7H10NO4ClS	239.678	-21.883	ChemrytIQ
100007-57-6	none	none	none	C72H113N19O24S6	1821.19	-13.821	ChemrytIQ
1000-67-5	none	none	high	C4H9O4S.Na	153.177	-10.412	ChemrytIQ
1000339-28-5	none	none	none	C14H8N2OBrCl	335.588	-0.59356	ChemrytIQ
10002-97-8	none	none	none	C18H30O2	278.434	0.24997	ChemrytIQ
100005-79-6	none	none	none	C12H9NS	199.276	-2.6106	ChemrytIQ
100012-49-5	none	none	none	C10H2O4Br4	505.738	-8.4981	ChemrytIQ
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1000068-25-6	none	none	none	C13H15NO4BF	279.074	-46.077	ChemrytIQ
100-26-5	none	none	none	C7H5NO4	167.12	-1.5746	ChemrytIQ
10001-30-6	none	none	none	C17H14O4	282.294	-0.8408	ChemrytIQ
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100-96-9	high	none	none	C7H10N2O	138.169	-1.7412	ChemrytIQ
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100-91-4	none	none	high	C17H25NO3	291.39	3.3475	ChemrytIQ
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100-50-5	none	none	high	C7H10O	110.155	-9.6048	ChemrytIQ
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100-64-1	high	high	none	C6H11NO	113.159	-6.4182	ChemrytIQ
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