2-fluoro-4-(methyldisulfanyl)aniline

C7H8FNS2 — CID 18377625

IUPAC2-fluoro-4-(methyldisulfanyl)aniline
SMILESCSSc1ccc(N)c(F)c1
InChIInChI=1S/C7H8FNS2/c1-10-11-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKeyLXPZJKOHFCCPPZ-UHFFFAOYSA-N
MW189.28 g/mol
LogP2.78
Rot. Bonds2

About 2-fluoro-4-(methyldisulfanyl)aniline

2-fluoro-4-(methyldisulfanyl)aniline (PubChem CID 18377625) has the molecular formula C7H8FNS2 and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-fluoro-4-(methyldisulfanyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(methyldisulfanyl)aniline
PubChem CID18377625
Molecular FormulaC7H8FNS2
Molecular Weight189.28 g/mol
Exact Mass189.01
IUPAC Name2-fluoro-4-(methyldisulfanyl)aniline
SMILESCSSc1ccc(N)c(F)c1
InChIInChI=1S/C7H8FNS2/c1-10-11-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKeyLXPZJKOHFCCPPZ-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(2-methylpropylsulfanyl)aniline
CID 79140638
4-(2-aminopropylsulfanyl)-2-fluoroaniline
CID 102689536
2-fluoro-4-(4-iodophenyl)sulfanylaniline
CID 91879946
4-(4-amino-3-fluorophenyl)sulfanylphenol
CID 91879712
4-(3,3-dimethylbutylsulfanyl)-2-fluoroaniline
CID 79140918
4-(3-chloroprop-2-enylsulfanyl)-2-fluoroaniline
CID 79141484
2-fluoro-4-[2-(4-fluorophenyl)sulfanylethylsulfanyl]aniline
CID 79141658
2-fluoro-4-[(2,4,6-trimethylphenyl)methylsulfanyl]aniline
CID 79140937
2-fluoro-4-[(5-methylfuran-2-yl)methylsulfanyl]aniline
CID 79141898
2-fluoro-4-(1-methoxypropan-2-ylsulfanyl)aniline
CID 79141008
2-fluoro-4-[(2-methylphenyl)methylsulfanyl]aniline
CID 79141636
2-fluoro-4-methylaniline;hydrochloride
CID 139976919

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methyldisulfanyl)aniline?
The IUPAC name of 2-fluoro-4-(methyldisulfanyl)aniline (CID 18377625) is 2-fluoro-4-(methyldisulfanyl)aniline.
What is the SMILES notation for 2-fluoro-4-(methyldisulfanyl)aniline?
The canonical SMILES for 2-fluoro-4-(methyldisulfanyl)aniline is CSSc1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methyldisulfanyl)aniline?
The InChIKey is LXPZJKOHFCCPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS2/c1-10-11-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3.
What are the key properties of 2-fluoro-4-(methyldisulfanyl)aniline?
2-fluoro-4-(methyldisulfanyl)aniline has a molecular weight of 189.28 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methyldisulfanyl)aniline is sourced from PubChem (CID 18377625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).