lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane

C6H9ClFLiS — CID 71388065

IUPAClithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane
SMILESCCCCS/C(F)=[C-]\Cl.[Li+]
InChIInChI=1S/C6H9ClFS.Li/c1-2-3-4-9-6(8)5-7;/h2-4H2,1H3;/q-1;+1
InChIKeyONULNPAPZHIIST-UHFFFAOYSA-N
MW174.60 g/mol
LogP0.33
Rot. Bonds4

About lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane

lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane (PubChem CID 71388065) has the molecular formula C6H9ClFLiS and a molecular weight of 174.60 g/mol. Its IUPAC name is lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane.

Molecular Properties

Compound Namelithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane
PubChem CID71388065
Molecular FormulaC6H9ClFLiS
Molecular Weight174.60 g/mol
Exact Mass174.03
IUPAC Namelithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane
SMILESCCCCS/C(F)=[C-]\Cl.[Li+]
InChIInChI=1S/C6H9ClFS.Li/c1-2-3-4-9-6(8)5-7;/h2-4H2,1H3;/q-1;+1
InChIKeyONULNPAPZHIIST-UHFFFAOYSA-N
XLogP0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,3-bis(butylsulfanyl)buta-1,3-diene
CID 87361196
1-prop-1-en-2-ylsulfanylbutane
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butylsulfanyl(propylsulfanyl)methanone
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(Z)-1-butylsulfanyl-1-chloro-2,3,3,4,4,5,5-heptafluoropent-1-ene
CID 102096238
heptadecane;hypofluorous acid
CID 158426244
1-(2,2-dichloro-1-pentylsulfanylethenyl)sulfanylpentane
CID 13181015
CID 159121999
CID 159121999
(E)-2-butylsulfanyl-1-chloro-3,3-dimethylbut-1-ene
CID 134933378
butyl N-(sulfanylidenemethylidene)carbamodithioate
CID 119098342
butyl 2,2,2-trifluoro-N-hydroxyethanimidothioate
CID 71409090
S-butyl nonanethioate
CID 10421399
S-butyl 2,2-dimethylpropanethioate
CID 12634487

Frequently Asked Questions

What is the IUPAC name of lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane?
The IUPAC name of lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane (CID 71388065) is lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane.
What is the SMILES notation for lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane?
The canonical SMILES for lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane is CCCCS/C(F)=[C-]\Cl.[Li+].
What is the InChIKey of lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane?
The InChIKey is ONULNPAPZHIIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClFS.Li/c1-2-3-4-9-6(8)5-7;/h2-4H2,1H3;/q-1;+1.
What are the key properties of lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane?
lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane has a molecular weight of 174.60 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(2-chloro-1-fluoroethenyl)sulfanylbutane is sourced from PubChem (CID 71388065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).