[amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride

C3H14F4N6S3Te — CID 139046400

IUPAC[amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride
SMILESF.F.NC(=[NH2+])S[Te]SC(N)=[NH2+].NC(N)=S.[F-].[F-]
InChIInChI=1S/C2H6N4S2Te.CH4N2S.4FH/c3-1(4)7-9-8-2(5)6;2-1(3)4;;;;/h(H3,3,4)(H3,5,6);(H4,2,3,4);4*1H
InChIKeyFNRDQJJFNSPDLH-UHFFFAOYSA-N
MW433.98 g/mol
LogP-10.36
Rot. Bonds2

About [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride

[amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride (PubChem CID 139046400) has the molecular formula C3H14F4N6S3Te and a molecular weight of 433.98 g/mol. Its IUPAC name is [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride.

Molecular Properties

Compound Name[amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride
PubChem CID139046400
Molecular FormulaC3H14F4N6S3Te
Molecular Weight433.98 g/mol
Exact Mass435.94
IUPAC Name[amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride
SMILESF.F.NC(=[NH2+])S[Te]SC(N)=[NH2+].NC(N)=S.[F-].[F-]
InChIInChI=1S/C2H6N4S2Te.CH4N2S.4FH/c3-1(4)7-9-8-2(5)6;2-1(3)4;;;;/h(H3,3,4)(H3,5,6);(H4,2,3,4);4*1H
InChIKeyFNRDQJJFNSPDLH-UHFFFAOYSA-N
XLogP-10.36
TPSA155.26 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.98
LogP ≤ 5-10.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride?
The IUPAC name of [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride (CID 139046400) is [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride.
What is the SMILES notation for [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride?
The canonical SMILES for [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride is F.F.NC(=[NH2+])S[Te]SC(N)=[NH2+].NC(N)=S.[F-].[F-].
What is the InChIKey of [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride?
The InChIKey is FNRDQJJFNSPDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4S2Te.CH4N2S.4FH/c3-1(4)7-9-8-2(5)6;2-1(3)4;;;;/h(H3,3,4)(H3,5,6);(H4,2,3,4);4*1H.
What are the key properties of [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride?
[amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride has a molecular weight of 433.98 g/mol, XLogP of -10.36, 2 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[amino(azaniumylidene)methyl]sulfanyltellanylsulfanylmethylidene]azanium;thiourea;difluoride;dihydrofluoride is sourced from PubChem (CID 139046400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).