lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate

C21H19F2LiO6S2 — CID 159957206

IUPAClithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate
SMILESCc1c(F)ccc2ccsc12.Cc1cc2ccc(F)c(C)c2s1.O.O=C=O.O=C=O.[Li+].[OH-]
InChIInChI=1S/C10H9FS.C9H7FS.2CO2.Li.2H2O/c1-6-5-8-3-4-9(11)7(2)10(8)12-6;1-6-8(10)3-2-7-4-5-11-9(6)7;2*2-1-3;;;/h3-5H,1-2H3;2-5H,1H3;;;;2*1H2/q;;;;+1;;/p-1
InChIKeyAMWKSDFNQOQQPR-UHFFFAOYSA-M
MW476.45 g/mol
LogP1.84
Rot. Bonds

About lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate

lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate (PubChem CID 159957206) has the molecular formula C21H19F2LiO6S2 and a molecular weight of 476.45 g/mol. Its IUPAC name is lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate
PubChem CID159957206
Molecular FormulaC21H19F2LiO6S2
Molecular Weight476.45 g/mol
Exact Mass476.08
IUPAC Namelithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate
SMILESCc1c(F)ccc2ccsc12.Cc1cc2ccc(F)c(C)c2s1.O.O=C=O.O=C=O.[Li+].[OH-]
InChIInChI=1S/C10H9FS.C9H7FS.2CO2.Li.2H2O/c1-6-5-8-3-4-9(11)7(2)10(8)12-6;1-6-8(10)3-2-7-4-5-11-9(6)7;2*2-1-3;;;/h3-5H,1-2H3;2-5H,1H3;;;;2*1H2/q;;;;+1;;/p-1
InChIKeyAMWKSDFNQOQQPR-UHFFFAOYSA-M
XLogP1.84
TPSA129.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate with MolForge

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Launch Full Analysis

Related Compounds

lithium;bis(carbon dioxide);7-fluoro-6-methoxy-1-benzothiophene;7-fluoro-6-methoxy-2-methyl-1-benzothiophene;hydroxide;hydrate
CID 159565022
lithium;bis(carbon dioxide);7-isocyano-2,6-dimethyl-1-benzothiophene;7-isocyano-6-methyl-1-benzothiophene;hydroxide;hydrate
CID 158452267
ethane;2-methylthieno[3,2-g][1]benzothiole
CID 145022999
7-methyl-8,20-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),6,11,14(22),15,17(21),18,23-undecaene
CID 58410706
7-bromo-6-fluoro-1-benzothiophene
CID 22171232
6-fluoro-7-propan-2-yl-1-benzothiophene
CID 170676310
6-ethyl-2-fluoro-7-methyl-1-benzothiophene
CID 130985732
5-(difluoromethyl)-6,7-dimethyl-1-benzothiophene
CID 130971820
2-(7-methyl-1-benzothiophen-6-yl)ethanamine
CID 96590495
7-methylthieno[3,2-g][1]benzothiol-2-amine
CID 129228320
6,7-difluoro-1-benzothiophene-5-carbonitrile
CID 131219396
5-ethyl-7-fluoro-1-benzothiophene-6-carbonitrile
CID 131076564

Frequently Asked Questions

What is the IUPAC name of lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate?
The IUPAC name of lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate (CID 159957206) is lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate.
What is the SMILES notation for lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate?
The canonical SMILES for lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate is Cc1c(F)ccc2ccsc12.Cc1cc2ccc(F)c(C)c2s1.O.O=C=O.O=C=O.[Li+].[OH-].
What is the InChIKey of lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate?
The InChIKey is AMWKSDFNQOQQPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9FS.C9H7FS.2CO2.Li.2H2O/c1-6-5-8-3-4-9(11)7(2)10(8)12-6;1-6-8(10)3-2-7-4-5-11-9(6)7;2*2-1-3;;;/h3-5H,1-2H3;2-5H,1H3;;;;2*1H2/q;;;;+1;;/p-1.
What are the key properties of lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate?
lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate has a molecular weight of 476.45 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;bis(carbon dioxide);6-fluoro-2,7-dimethyl-1-benzothiophene;6-fluoro-7-methyl-1-benzothiophene;hydroxide;hydrate is sourced from PubChem (CID 159957206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).