azane;carbamodithioic acid;formic acid;pyrrolidine

C6H20N4O2S2 — CID 174851423

IUPACazane;carbamodithioic acid;formic acid;pyrrolidine
SMILESC1CCNC1.N.N.NC(=S)S.O=CO
InChIInChI=1S/C4H9N.CH3NS2.CH2O2.2H3N/c1-2-4-5-3-1;2-1(3)4;2-1-3;;/h5H,1-4H2;(H3,2,3,4);1H,(H,2,3);2*1H3
InChIKeyLHTFCGIZELCKSX-UHFFFAOYSA-N
MW244.39 g/mol
LogP0.55
Rot. Bonds

About azane;carbamodithioic acid;formic acid;pyrrolidine

azane;carbamodithioic acid;formic acid;pyrrolidine (PubChem CID 174851423) has the molecular formula C6H20N4O2S2 and a molecular weight of 244.39 g/mol. Its IUPAC name is azane;carbamodithioic acid;formic acid;pyrrolidine.

Molecular Properties

Compound Nameazane;carbamodithioic acid;formic acid;pyrrolidine
PubChem CID174851423
Molecular FormulaC6H20N4O2S2
Molecular Weight244.39 g/mol
Exact Mass244.10
IUPAC Nameazane;carbamodithioic acid;formic acid;pyrrolidine
SMILESC1CCNC1.N.N.NC(=S)S.O=CO
InChIInChI=1S/C4H9N.CH3NS2.CH2O2.2H3N/c1-2-4-5-3-1;2-1(3)4;2-1-3;;/h5H,1-4H2;(H3,2,3,4);1H,(H,2,3);2*1H3
InChIKeyLHTFCGIZELCKSX-UHFFFAOYSA-N
XLogP0.55
TPSA145.35 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.39
LogP ≤ 50.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;carbamodithioic acid;formic acid;pyrrolidine?
The IUPAC name of azane;carbamodithioic acid;formic acid;pyrrolidine (CID 174851423) is azane;carbamodithioic acid;formic acid;pyrrolidine.
What is the SMILES notation for azane;carbamodithioic acid;formic acid;pyrrolidine?
The canonical SMILES for azane;carbamodithioic acid;formic acid;pyrrolidine is C1CCNC1.N.N.NC(=S)S.O=CO.
What is the InChIKey of azane;carbamodithioic acid;formic acid;pyrrolidine?
The InChIKey is LHTFCGIZELCKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.CH3NS2.CH2O2.2H3N/c1-2-4-5-3-1;2-1(3)4;2-1-3;;/h5H,1-4H2;(H3,2,3,4);1H,(H,2,3);2*1H3.
What are the key properties of azane;carbamodithioic acid;formic acid;pyrrolidine?
azane;carbamodithioic acid;formic acid;pyrrolidine has a molecular weight of 244.39 g/mol, XLogP of 0.55, 0 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbamodithioic acid;formic acid;pyrrolidine is sourced from PubChem (CID 174851423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).