aminocarbamodithioic acid;pyrrolidine

C5H13N3S2 — CID 87890523

IUPACaminocarbamodithioic acid;pyrrolidine
SMILESC1CCNC1.NNC(=S)S
InChIInChI=1S/C4H9N.CH4N2S2/c1-2-4-5-3-1;2-3-1(4)5/h5H,1-4H2;2H2,(H2,3,4,5)
InChIKeyYVOWYXQJPUEVOR-UHFFFAOYSA-N
MW179.31 g/mol
LogP0.03
Rot. Bonds

About aminocarbamodithioic acid;pyrrolidine

aminocarbamodithioic acid;pyrrolidine (PubChem CID 87890523) has the molecular formula C5H13N3S2 and a molecular weight of 179.31 g/mol. Its IUPAC name is aminocarbamodithioic acid;pyrrolidine.

Molecular Properties

Compound Nameaminocarbamodithioic acid;pyrrolidine
PubChem CID87890523
Molecular FormulaC5H13N3S2
Molecular Weight179.31 g/mol
Exact Mass179.06
IUPAC Nameaminocarbamodithioic acid;pyrrolidine
SMILESC1CCNC1.NNC(=S)S
InChIInChI=1S/C4H9N.CH4N2S2/c1-2-4-5-3-1;2-3-1(4)5/h5H,1-4H2;2H2,(H2,3,4,5)
InChIKeyYVOWYXQJPUEVOR-UHFFFAOYSA-N
XLogP0.03
TPSA50.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze aminocarbamodithioic acid;pyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of aminocarbamodithioic acid;pyrrolidine?
The IUPAC name of aminocarbamodithioic acid;pyrrolidine (CID 87890523) is aminocarbamodithioic acid;pyrrolidine.
What is the SMILES notation for aminocarbamodithioic acid;pyrrolidine?
The canonical SMILES for aminocarbamodithioic acid;pyrrolidine is C1CCNC1.NNC(=S)S.
What is the InChIKey of aminocarbamodithioic acid;pyrrolidine?
The InChIKey is YVOWYXQJPUEVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.CH4N2S2/c1-2-4-5-3-1;2-3-1(4)5/h5H,1-4H2;2H2,(H2,3,4,5).
What are the key properties of aminocarbamodithioic acid;pyrrolidine?
aminocarbamodithioic acid;pyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 0.03, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminocarbamodithioic acid;pyrrolidine is sourced from PubChem (CID 87890523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).