bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine

C5H14BiFN2S2 — CID 174724758

IUPACbismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine
SMILESF[C@@H]1CCNC1.NC(=S)S.[BiH3]
InChIInChI=1S/C4H8FN.CH3NS2.Bi.3H/c5-4-1-2-6-3-4;2-1(3)4;;;;/h4,6H,1-3H2;(H3,2,3,4);;;;/t4-;;;;;/m1...../s1
InChIKeyLRHGVRRPCDVQOO-VGTMBILJSA-N
MW394.29 g/mol
LogP-0.71
Rot. Bonds

About bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine

bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine (PubChem CID 174724758) has the molecular formula C5H14BiFN2S2 and a molecular weight of 394.29 g/mol. Its IUPAC name is bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine.

Molecular Properties

Compound Namebismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine
PubChem CID174724758
Molecular FormulaC5H14BiFN2S2
Molecular Weight394.29 g/mol
Exact Mass394.04
IUPAC Namebismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine
SMILESF[C@@H]1CCNC1.NC(=S)S.[BiH3]
InChIInChI=1S/C4H8FN.CH3NS2.Bi.3H/c5-4-1-2-6-3-4;2-1(3)4;;;;/h4,6H,1-3H2;(H3,2,3,4);;;;/t4-;;;;;/m1...../s1
InChIKeyLRHGVRRPCDVQOO-VGTMBILJSA-N
XLogP-0.71
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-fluoropyrrolidine;molecular hydrogen
CID 142415652
(3R)-3-fluoropyrrolidine;molecular hydrogen
CID 178127411
carbamodithioic acid;(3R)-pyrrolidin-3-ol;sulfane
CID 173231160
3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
CID 155896849
4-fluoropiperidine;hydrazine;hydrate
CID 157321541
2-bromoacetamide;(3S)-3-fluoropyrrolidine;2-[(3S)-3-fluoropyrrolidin-1-yl]acetamide;hydrochloride
CID 158741927
bismuthane;carbamodithioic acid;ethyl piperidine-3-carboxylate
CID 174731342
(3S,4R)-4-fluoropiperidin-3-amine
CID 97053659
carbamodithioic acid;1,4-diazepane
CID 160784394
2-amino-2-pyrrolidin-3-ylbutanedithioic acid
CID 57291250
[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
CID 175145817
(3R,4S)-3-fluoropiperidin-4-amine;hydrochloride
CID 170923054

Frequently Asked Questions

What is the IUPAC name of bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine?
The IUPAC name of bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine (CID 174724758) is bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine.
What is the SMILES notation for bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine?
The canonical SMILES for bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine is F[C@@H]1CCNC1.NC(=S)S.[BiH3].
What is the InChIKey of bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine?
The InChIKey is LRHGVRRPCDVQOO-VGTMBILJSA-N. The full InChI is InChI=1S/C4H8FN.CH3NS2.Bi.3H/c5-4-1-2-6-3-4;2-1(3)4;;;;/h4,6H,1-3H2;(H3,2,3,4);;;;/t4-;;;;;/m1...../s1.
What are the key properties of bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine?
bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine has a molecular weight of 394.29 g/mol, XLogP of -0.71, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;carbamodithioic acid;(3R)-3-fluoropyrrolidine is sourced from PubChem (CID 174724758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).