S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine

C9H11FN2S — CID 170593348

IUPACS-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine
SMILESCC1Cc2cc(F)c(SN)cc2N1
InChIInChI=1S/C9H11FN2S/c1-5-2-6-3-7(10)9(13-11)4-8(6)12-5/h3-5,12H,2,11H2,1H3
InChIKeyUOQHVKDHWIPWQE-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.15
Rot. Bonds1

About S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine

S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine (PubChem CID 170593348) has the molecular formula C9H11FN2S and a molecular weight of 198.27 g/mol. Its IUPAC name is S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine
PubChem CID170593348
Molecular FormulaC9H11FN2S
Molecular Weight198.27 g/mol
Exact Mass198.06
IUPAC NameS-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine
SMILESCC1Cc2cc(F)c(SN)cc2N1
InChIInChI=1S/C9H11FN2S/c1-5-2-6-3-7(10)9(13-11)4-8(6)12-5/h3-5,12H,2,11H2,1H3
InChIKeyUOQHVKDHWIPWQE-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-(2,5-dimethyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine;ethane
CID 178151839
ethane;6-fluoro-5-methoxy-2-methyl-2,3-dihydro-1H-indole
CID 145147315
5-methoxy-2-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 84694331
(2S)-2,6-dimethyl-2,3-dihydro-1H-indole
CID 130731712
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82032484
2,6-dimethyl-1,5,6,7-tetrahydropyrrolo[2,3-f]indole
CID 89011412
4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
5-ethoxy-2-methyl-2,3-dihydro-1H-indole
CID 21441430
N-methyl-1-(2-methyl-2,3-dihydro-1H-indol-6-yl)ethanamine
CID 117203582
(2R)-5-(2,5-dimethylpyrrol-1-yl)-2-methyl-2,3-dihydro-1H-indole
CID 20813927

Frequently Asked Questions

What is the IUPAC name of S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine?
The IUPAC name of S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine (CID 170593348) is S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine.
What is the SMILES notation for S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine?
The canonical SMILES for S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine is CC1Cc2cc(F)c(SN)cc2N1.
What is the InChIKey of S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine?
The InChIKey is UOQHVKDHWIPWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2S/c1-5-2-6-3-7(10)9(13-11)4-8(6)12-5/h3-5,12H,2,11H2,1H3.
What are the key properties of S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine?
S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine has a molecular weight of 198.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(5-fluoro-2-methyl-2,3-dihydro-1H-indol-6-yl)thiohydroxylamine is sourced from PubChem (CID 170593348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).