(4-fluoro-3-methylphenyl)sulfanylhydrazine

C7H9FN2S — CID 117036003

IUPAC(4-fluoro-3-methylphenyl)sulfanylhydrazine
SMILESCc1cc(SNN)ccc1F
InChIInChI=1S/C7H9FN2S/c1-5-4-6(11-10-9)2-3-7(5)8/h2-4,10H,9H2,1H3
InChIKeyJDODXCQREIXQHB-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.60
Rot. Bonds2

About (4-fluoro-3-methylphenyl)sulfanylhydrazine

(4-fluoro-3-methylphenyl)sulfanylhydrazine (PubChem CID 117036003) has the molecular formula C7H9FN2S and a molecular weight of 172.23 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)sulfanylhydrazine.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)sulfanylhydrazine
PubChem CID117036003
Molecular FormulaC7H9FN2S
Molecular Weight172.23 g/mol
Exact Mass172.05
IUPAC Name(4-fluoro-3-methylphenyl)sulfanylhydrazine
SMILESCc1cc(SNN)ccc1F
InChIInChI=1S/C7H9FN2S/c1-5-4-6(11-10-9)2-3-7(5)8/h2-4,10H,9H2,1H3
InChIKeyJDODXCQREIXQHB-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-(4-fluoro-3-methylphenyl)sulfanyl-2-methylbenzene
CID 141268136
(4-methoxy-3-methylphenyl)sulfanylhydrazine
CID 117036006
(4-fluoro-3-methylphenyl)sulfanylmethanethiol
CID 117033691
(4-fluoro-3-methylphenyl)hydrazine;hydrochloride
CID 18355387
2-[2-(4-fluoro-3-methylphenyl)sulfanylethoxy]ethanamine
CID 94685068
1-fluoro-2-methyl-4-prop-2-enylsulfanylbenzene
CID 91655286
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
1-(4-fluoro-3-methylphenyl)sulfanylpropan-2-one
CID 117034104
S-(4-fluoro-3-methylphenyl)thiohydroxylamine;thiomorpholine
CID 145239891
[1-(4-fluoro-3-methylphenyl)sulfanylcyclobutyl]methanamine
CID 117034948
1-[1-(4-fluoro-3-methylphenyl)sulfanylcyclopropyl]-N-methylmethanamine
CID 117034879
ethane;4-fluoro-3-methylaniline
CID 142250330

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)sulfanylhydrazine?
The IUPAC name of (4-fluoro-3-methylphenyl)sulfanylhydrazine (CID 117036003) is (4-fluoro-3-methylphenyl)sulfanylhydrazine.
What is the SMILES notation for (4-fluoro-3-methylphenyl)sulfanylhydrazine?
The canonical SMILES for (4-fluoro-3-methylphenyl)sulfanylhydrazine is Cc1cc(SNN)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)sulfanylhydrazine?
The InChIKey is JDODXCQREIXQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2S/c1-5-4-6(11-10-9)2-3-7(5)8/h2-4,10H,9H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)sulfanylhydrazine?
(4-fluoro-3-methylphenyl)sulfanylhydrazine has a molecular weight of 172.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)sulfanylhydrazine is sourced from PubChem (CID 117036003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).