bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid

C5H11BiFNS2 — CID 174724747

IUPACbismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid
SMILESF[C@H]1CCN(C(=S)S)C1.[BiH3]
InChIInChI=1S/C5H8FNS2.Bi.3H/c6-4-1-2-7(3-4)5(8)9;;;;/h4H,1-3H2,(H,8,9);;;;/t4-;;;;/m0..../s1
InChIKeyRTYIYQFRDAYJKI-NDNWHDOQSA-N
MW377.26 g/mol
LogP0.06
Rot. Bonds

About bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid

bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid (PubChem CID 174724747) has the molecular formula C5H11BiFNS2 and a molecular weight of 377.26 g/mol. Its IUPAC name is bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid.

Molecular Properties

Compound Namebismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid
PubChem CID174724747
Molecular FormulaC5H11BiFNS2
Molecular Weight377.26 g/mol
Exact Mass377.01
IUPAC Namebismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid
SMILESF[C@H]1CCN(C(=S)S)C1.[BiH3]
InChIInChI=1S/C5H8FNS2.Bi.3H/c6-4-1-2-7(3-4)5(8)9;;;;/h4H,1-3H2,(H,8,9);;;;/t4-;;;;/m0..../s1
InChIKeyRTYIYQFRDAYJKI-NDNWHDOQSA-N
XLogP0.06
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
3-fluoropyrrolidine-1-carbonyl chloride
CID 175546868
CID 131886792
CID 131886792
3-fluoropyrrolidine-1-carbohydrazide
CID 155317183
(3S)-3-fluoropyrrolidine-1-carboximidamide
CID 129494117
diazanium;4-[3-(1-dithiocarboxypiperidin-4-yl)propyl]piperidine-1-carbodithioic acid
CID 126960093
N-ethenyl-1-[(3R)-3-fluoropyrrolidin-1-yl]ethanimine
CID 166807753
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 175876207
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
3-(3-fluoropiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 164657894

Frequently Asked Questions

What is the IUPAC name of bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid?
The IUPAC name of bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid (CID 174724747) is bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid.
What is the SMILES notation for bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid?
The canonical SMILES for bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid is F[C@H]1CCN(C(=S)S)C1.[BiH3].
What is the InChIKey of bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid?
The InChIKey is RTYIYQFRDAYJKI-NDNWHDOQSA-N. The full InChI is InChI=1S/C5H8FNS2.Bi.3H/c6-4-1-2-7(3-4)5(8)9;;;;/h4H,1-3H2,(H,8,9);;;;/t4-;;;;/m0..../s1.
What are the key properties of bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid?
bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid has a molecular weight of 377.26 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;(3S)-3-fluoropyrrolidine-1-carbodithioic acid is sourced from PubChem (CID 174724747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).