N'-propanethioylpropanethiohydrazide

C6H12N2S2 — CID 160799879

IUPACN'-propanethioylpropanethiohydrazide
SMILESCCC(=S)NNC(=S)CC
InChIInChI=1S/C6H12N2S2/c1-3-5(9)7-8-6(10)4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyYCJZULYPDLEKEV-UHFFFAOYSA-N
MW176.31 g/mol
LogP1.56
Rot. Bonds2

About N'-propanethioylpropanethiohydrazide

N'-propanethioylpropanethiohydrazide (PubChem CID 160799879) has the molecular formula C6H12N2S2 and a molecular weight of 176.31 g/mol. Its IUPAC name is N'-propanethioylpropanethiohydrazide.

Molecular Properties

Compound NameN'-propanethioylpropanethiohydrazide
PubChem CID160799879
Molecular FormulaC6H12N2S2
Molecular Weight176.31 g/mol
Exact Mass176.04
IUPAC NameN'-propanethioylpropanethiohydrazide
SMILESCCC(=S)NNC(=S)CC
InChIInChI=1S/C6H12N2S2/c1-3-5(9)7-8-6(10)4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
InChIKeyYCJZULYPDLEKEV-UHFFFAOYSA-N
XLogP1.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-propanethioylpropanethiohydrazide?
The IUPAC name of N'-propanethioylpropanethiohydrazide (CID 160799879) is N'-propanethioylpropanethiohydrazide.
What is the SMILES notation for N'-propanethioylpropanethiohydrazide?
The canonical SMILES for N'-propanethioylpropanethiohydrazide is CCC(=S)NNC(=S)CC.
What is the InChIKey of N'-propanethioylpropanethiohydrazide?
The InChIKey is YCJZULYPDLEKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S2/c1-3-5(9)7-8-6(10)4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10).
What are the key properties of N'-propanethioylpropanethiohydrazide?
N'-propanethioylpropanethiohydrazide has a molecular weight of 176.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propanethioylpropanethiohydrazide is sourced from PubChem (CID 160799879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).