S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine

C7H6FN3S — CID 138474768

IUPACS-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine
SMILESNSc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C7H6FN3S/c8-4-1-2-5-6(3-4)11-7(10-5)12-9/h1-3H,9H2,(H,10,11)
InChIKeyYSAHZRRHCXVLKF-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.67
Rot. Bonds1

About S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine

S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine (PubChem CID 138474768) has the molecular formula C7H6FN3S and a molecular weight of 183.21 g/mol. Its IUPAC name is S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine
PubChem CID138474768
Molecular FormulaC7H6FN3S
Molecular Weight183.21 g/mol
Exact Mass183.03
IUPAC NameS-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine
SMILESNSc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C7H6FN3S/c8-4-1-2-5-6(3-4)11-7(10-5)12-9/h1-3H,9H2,(H,10,11)
InChIKeyYSAHZRRHCXVLKF-UHFFFAOYSA-N
XLogP1.67
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.67
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

4-[(6-fluoro-1H-benzimidazol-2-yl)sulfanyl]butanenitrile
CID 84616997
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
(2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
CID 41281946
2-[(6-fluoro-1H-benzimidazol-2-yl)sulfanylmethyl]quinoline
CID 139812499
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
6-fluoro-2-(trichloromethyl)-1H-benzimidazole
CID 11622976
(1S,2S)-1,2-bis(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 6927588
3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine
CID 65261564
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080

Frequently Asked Questions

What is the IUPAC name of S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine?
The IUPAC name of S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine (CID 138474768) is S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine.
What is the SMILES notation for S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine?
The canonical SMILES for S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine is NSc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine?
The InChIKey is YSAHZRRHCXVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3S/c8-4-1-2-5-6(3-4)11-7(10-5)12-9/h1-3H,9H2,(H,10,11).
What are the key properties of S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine?
S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine has a molecular weight of 183.21 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(6-fluoro-1H-benzimidazol-2-yl)thiohydroxylamine is sourced from PubChem (CID 138474768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).