cyclopropanecarboxylic acid;S-phenylthiohydroxylamine

C10H13NO2S — CID 145374417

IUPACcyclopropanecarboxylic acid;S-phenylthiohydroxylamine
SMILESNSc1ccccc1.O=C(O)C1CC1
InChIInChI=1S/C6H7NS.C4H6O2/c7-8-6-4-2-1-3-5-6;5-4(6)3-1-2-3/h1-5H,7H2;3H,1-2H2,(H,5,6)
InChIKeyLFHOYSYXOBARNY-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.13
Rot. Bonds2

About cyclopropanecarboxylic acid;S-phenylthiohydroxylamine

cyclopropanecarboxylic acid;S-phenylthiohydroxylamine (PubChem CID 145374417) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is cyclopropanecarboxylic acid;S-phenylthiohydroxylamine.

Molecular Properties

Compound Namecyclopropanecarboxylic acid;S-phenylthiohydroxylamine
PubChem CID145374417
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Namecyclopropanecarboxylic acid;S-phenylthiohydroxylamine
SMILESNSc1ccccc1.O=C(O)C1CC1
InChIInChI=1S/C6H7NS.C4H6O2/c7-8-6-4-2-1-3-5-6;5-4(6)3-1-2-3/h1-5H,7H2;3H,1-2H2,(H,5,6)
InChIKeyLFHOYSYXOBARNY-UHFFFAOYSA-N
XLogP2.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.13
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

cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
4-(4-carboxycyclohexanecarbonyl)benzoic acid
CID 71338600
[(4-carboxycyclohexyl)-(2-hydroxyphenyl)methylidene]azanium
CID 147623731
4-[methyl(phenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237916
1-[(4-phenylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035787
3-[(2-phenylsulfanylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031331
1-phenylphosphinane-4-carboxylic acid
CID 143517103
cyclohexane-1,4-dicarboxylic acid;naphthalene-2,6-dicarboxylic acid;dihydrochloride
CID 70542145
S-phenyl cyclopentanecarbothioate
CID 14090314
4-oxo-3-phenylsulfanylcyclohexane-1-carboxylic acid
CID 20537056

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxylic acid;S-phenylthiohydroxylamine?
The IUPAC name of cyclopropanecarboxylic acid;S-phenylthiohydroxylamine (CID 145374417) is cyclopropanecarboxylic acid;S-phenylthiohydroxylamine.
What is the SMILES notation for cyclopropanecarboxylic acid;S-phenylthiohydroxylamine?
The canonical SMILES for cyclopropanecarboxylic acid;S-phenylthiohydroxylamine is NSc1ccccc1.O=C(O)C1CC1.
What is the InChIKey of cyclopropanecarboxylic acid;S-phenylthiohydroxylamine?
The InChIKey is LFHOYSYXOBARNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.C4H6O2/c7-8-6-4-2-1-3-5-6;5-4(6)3-1-2-3/h1-5H,7H2;3H,1-2H2,(H,5,6).
What are the key properties of cyclopropanecarboxylic acid;S-phenylthiohydroxylamine?
cyclopropanecarboxylic acid;S-phenylthiohydroxylamine has a molecular weight of 211.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxylic acid;S-phenylthiohydroxylamine is sourced from PubChem (CID 145374417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).