sodium 2-fluoro-4-methyl-1-sulfenatobenzene

C7H6FNaOS — CID 142318520

IUPACsodium 2-fluoro-4-methyl-1-sulfenatobenzene
SMILESCc1ccc(S[O-])c(F)c1.[Na+]
InChIInChI=1S/C7H7FOS.Na/c1-5-2-3-7(10-9)6(8)4-5;/h2-4,9H,1H3;/q;+1/p-1
InChIKeyIYJQFICCPOTVGB-UHFFFAOYSA-M
MW180.18 g/mol
LogP-0.64
Rot. Bonds1

About sodium 2-fluoro-4-methyl-1-sulfenatobenzene

sodium 2-fluoro-4-methyl-1-sulfenatobenzene (PubChem CID 142318520) has the molecular formula C7H6FNaOS and a molecular weight of 180.18 g/mol. Its IUPAC name is sodium 2-fluoro-4-methyl-1-sulfenatobenzene.

Molecular Properties

Compound Namesodium 2-fluoro-4-methyl-1-sulfenatobenzene
PubChem CID142318520
Molecular FormulaC7H6FNaOS
Molecular Weight180.18 g/mol
Exact Mass180.00
IUPAC Namesodium 2-fluoro-4-methyl-1-sulfenatobenzene
SMILESCc1ccc(S[O-])c(F)c1.[Na+]
InChIInChI=1S/C7H7FOS.Na/c1-5-2-3-7(10-9)6(8)4-5;/h2-4,9H,1H3;/q;+1/p-1
InChIKeyIYJQFICCPOTVGB-UHFFFAOYSA-M
XLogP-0.64
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-deuteriophenyl)sulfanyl-2-fluoro-4-methylbenzene
CID 59595555
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
(2-fluoro-5-methylphenyl) thiohypochlorite
CID 126731681
(2-fluoro-4-methylphenyl)methanediol
CID 129136979
2,3-difluoro-1,4-dimethylbenzene;2-fluoro-1,4-dimethylbenzene
CID 90931442
3-(2-fluoro-5-methylphenyl)prop-2-ynenitrile
CID 116791005
1-(2-fluoro-4-methylphenoxy)ethanol
CID 134488224
1,4-bis[(2,4-dimethylphenyl)sulfanyl]-2,3,5,6-tetrafluorobenzene
CID 57385178
2-fluoro-4-methyl-N,N-bis(methylsulfanyl)aniline
CID 175447106
sodium 1-methyl-4-sulfenatobenzene
CID 23670069

Frequently Asked Questions

What is the IUPAC name of sodium 2-fluoro-4-methyl-1-sulfenatobenzene?
The IUPAC name of sodium 2-fluoro-4-methyl-1-sulfenatobenzene (CID 142318520) is sodium 2-fluoro-4-methyl-1-sulfenatobenzene.
What is the SMILES notation for sodium 2-fluoro-4-methyl-1-sulfenatobenzene?
The canonical SMILES for sodium 2-fluoro-4-methyl-1-sulfenatobenzene is Cc1ccc(S[O-])c(F)c1.[Na+].
What is the InChIKey of sodium 2-fluoro-4-methyl-1-sulfenatobenzene?
The InChIKey is IYJQFICCPOTVGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7FOS.Na/c1-5-2-3-7(10-9)6(8)4-5;/h2-4,9H,1H3;/q;+1/p-1.
What are the key properties of sodium 2-fluoro-4-methyl-1-sulfenatobenzene?
sodium 2-fluoro-4-methyl-1-sulfenatobenzene has a molecular weight of 180.18 g/mol, XLogP of -0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-fluoro-4-methyl-1-sulfenatobenzene is sourced from PubChem (CID 142318520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).