lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite

C4H4F3LiN3O2S2+ — CID 160782649

IUPAClithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite
SMILESCc1nnc(N=S(=O)(OF)C(F)F)s1.[Li+]
InChIInChI=1S/C4H4F3N3O2S2.Li/c1-2-8-9-4(13-2)10-14(11,12-7)3(5)6;/h3H,1H3;/q;+1
InChIKeyBCIPJNHBMDALLI-UHFFFAOYSA-N
MW254.16 g/mol
LogP-1.01
Rot. Bonds3

About lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite

lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite (PubChem CID 160782649) has the molecular formula C4H4F3LiN3O2S2+ and a molecular weight of 254.16 g/mol. Its IUPAC name is lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite.

Molecular Properties

Compound Namelithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite
PubChem CID160782649
Molecular FormulaC4H4F3LiN3O2S2+
Molecular Weight254.16 g/mol
Exact Mass253.99
IUPAC Namelithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite
SMILESCc1nnc(N=S(=O)(OF)C(F)F)s1.[Li+]
InChIInChI=1S/C4H4F3N3O2S2.Li/c1-2-8-9-4(13-2)10-14(11,12-7)3(5)6;/h3H,1H3;/q;+1
InChIKeyBCIPJNHBMDALLI-UHFFFAOYSA-N
XLogP-1.01
TPSA64.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite?
The IUPAC name of lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite (CID 160782649) is lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite.
What is the SMILES notation for lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite?
The canonical SMILES for lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite is Cc1nnc(N=S(=O)(OF)C(F)F)s1.[Li+].
What is the InChIKey of lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite?
The InChIKey is BCIPJNHBMDALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3O2S2.Li/c1-2-8-9-4(13-2)10-14(11,12-7)3(5)6;/h3H,1H3;/q;+1.
What are the key properties of lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite?
lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite has a molecular weight of 254.16 g/mol, XLogP of -1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [S-(difluoromethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)sulfonimidoyl] hypofluorite is sourced from PubChem (CID 160782649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).