CID 175065585

C13H23FN2S — CID 175065585

IUPAC—
SMILESCCCCCCCCN1C=CC=CC1.FN=S
InChIInChI=1S/C13H23N.FNS/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-2-3/h7,9-10,12H,2-6,8,11,13H2,1H3;
InChIKeyTYSKWUDOQHNEDT-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.33
Rot. Bonds7

About CID 175065585

CID 175065585 (PubChem CID 175065585) has the molecular formula C13H23FN2S and a molecular weight of 258.41 g/mol.

Molecular Properties

Compound NameCID 175065585
PubChem CID175065585
Molecular FormulaC13H23FN2S
Molecular Weight258.41 g/mol
Exact Mass258.16
IUPAC Name—
SMILESCCCCCCCCN1C=CC=CC1.FN=S
InChIInChI=1S/C13H23N.FNS/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-2-3/h7,9-10,12H,2-6,8,11,13H2,1H3;
InChIKeyTYSKWUDOQHNEDT-UHFFFAOYSA-N
XLogP4.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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aluminum;1-butyl-2H-pyridine;trichloride
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1-hexadecyl-2H-pyridine;nitric acid
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1-butyl-2H-pyridine;hydron;tetrafluoroborate
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1-dodecyl-2H-pyridine;1-hexadecylpyridin-1-ium;bis(1-tetradecylpyridin-1-ium);dibromide;chloride;hydrochloride
CID 174994990
1-butyl-2H-pyridine;2-octylpyridine
CID 175452133
1-butyl-2H-pyridine;2,2,2-trifluoro-N-(trifluoromethylsulfonyl)acetamide
CID 175716542
5-(2H-pyridin-1-yl)pentanoic acid
CID 151955101
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-heptyl-3-nonyl-2H-imidazole
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Frequently Asked Questions

What is the IUPAC name of CID 175065585?
The IUPAC name of CID 175065585 (CID 175065585) is not available.
What is the SMILES notation for CID 175065585?
The canonical SMILES for CID 175065585 is CCCCCCCCN1C=CC=CC1.FN=S.
What is the InChIKey of CID 175065585?
The InChIKey is TYSKWUDOQHNEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N.FNS/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-2-3/h7,9-10,12H,2-6,8,11,13H2,1H3;.
What are the key properties of CID 175065585?
CID 175065585 has a molecular weight of 258.41 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175065585 is sourced from PubChem (CID 175065585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).