carbamodithioic acid;piperazine

C5H13N3S2 — CID 3037039

IUPACcarbamodithioic acid;piperazine
SMILESC1CNCCN1.NC(=S)S
InChIInChI=1S/C4H10N2.CH3NS2/c1-2-6-4-3-5-1;2-1(3)4/h5-6H,1-4H2;(H3,2,3,4)
InChIKeyAGKZZTAKVYWQLA-UHFFFAOYSA-N
MW179.31 g/mol
LogP-0.66
Rot. Bonds

About carbamodithioic acid;piperazine

carbamodithioic acid;piperazine (PubChem CID 3037039) has the molecular formula C5H13N3S2 and a molecular weight of 179.31 g/mol. Its IUPAC name is carbamodithioic acid;piperazine.

Molecular Properties

Compound Namecarbamodithioic acid;piperazine
PubChem CID3037039
Molecular FormulaC5H13N3S2
Molecular Weight179.31 g/mol
Exact Mass179.06
IUPAC Namecarbamodithioic acid;piperazine
SMILESC1CNCCN1.NC(=S)S
InChIInChI=1S/C4H10N2.CH3NS2/c1-2-6-4-3-5-1;2-1(3)4/h5-6H,1-4H2;(H3,2,3,4)
InChIKeyAGKZZTAKVYWQLA-UHFFFAOYSA-N
XLogP-0.66
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 ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;piperazine?
The IUPAC name of carbamodithioic acid;piperazine (CID 3037039) is carbamodithioic acid;piperazine.
What is the SMILES notation for carbamodithioic acid;piperazine?
The canonical SMILES for carbamodithioic acid;piperazine is C1CNCCN1.NC(=S)S.
What is the InChIKey of carbamodithioic acid;piperazine?
The InChIKey is AGKZZTAKVYWQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.CH3NS2/c1-2-6-4-3-5-1;2-1(3)4/h5-6H,1-4H2;(H3,2,3,4).
What are the key properties of carbamodithioic acid;piperazine?
carbamodithioic acid;piperazine has a molecular weight of 179.31 g/mol, XLogP of -0.66, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;piperazine is sourced from PubChem (CID 3037039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).