N'-propanethioylpropanethiohydrazide;pyridine

C11H17N3S2 — CID 160799878

IUPACN'-propanethioylpropanethiohydrazide;pyridine
SMILESCCC(=S)NNC(=S)CC.c1ccncc1
InChIInChI=1S/C6H12N2S2.C5H5N/c1-3-5(9)7-8-6(10)4-2;1-2-4-6-5-3-1/h3-4H2,1-2H3,(H,7,9)(H,8,10);1-5H
InChIKeySCXXLDRIWMZZSI-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.64
Rot. Bonds2

About N'-propanethioylpropanethiohydrazide;pyridine

N'-propanethioylpropanethiohydrazide;pyridine (PubChem CID 160799878) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is N'-propanethioylpropanethiohydrazide;pyridine.

Molecular Properties

Compound NameN'-propanethioylpropanethiohydrazide;pyridine
PubChem CID160799878
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC NameN'-propanethioylpropanethiohydrazide;pyridine
SMILESCCC(=S)NNC(=S)CC.c1ccncc1
InChIInChI=1S/C6H12N2S2.C5H5N/c1-3-5(9)7-8-6(10)4-2;1-2-4-6-5-3-1/h3-4H2,1-2H3,(H,7,9)(H,8,10);1-5H
InChIKeySCXXLDRIWMZZSI-UHFFFAOYSA-N
XLogP2.64
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

propanethioamide;pyridine
CID 159661504
cobalt;propane;pyridine
CID 88509314
ethane;ethanol;pyridine
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butane;pyridine
CID 66630740
ethanamine;pyridine
CID 66758154
CID 131664046
CID 131664046
ethylsilane;pyridine
CID 175327544
CID 174943555
CID 174943555
1,5-diazecine
CID 53440348
pyridine
CID 67755510
pyridine
CID 160878650
ethanamine;pyridine;hydrochloride
CID 174393603

Frequently Asked Questions

What is the IUPAC name of N'-propanethioylpropanethiohydrazide;pyridine?
The IUPAC name of N'-propanethioylpropanethiohydrazide;pyridine (CID 160799878) is N'-propanethioylpropanethiohydrazide;pyridine.
What is the SMILES notation for N'-propanethioylpropanethiohydrazide;pyridine?
The canonical SMILES for N'-propanethioylpropanethiohydrazide;pyridine is CCC(=S)NNC(=S)CC.c1ccncc1.
What is the InChIKey of N'-propanethioylpropanethiohydrazide;pyridine?
The InChIKey is SCXXLDRIWMZZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S2.C5H5N/c1-3-5(9)7-8-6(10)4-2;1-2-4-6-5-3-1/h3-4H2,1-2H3,(H,7,9)(H,8,10);1-5H.
What are the key properties of N'-propanethioylpropanethiohydrazide;pyridine?
N'-propanethioylpropanethiohydrazide;pyridine has a molecular weight of 255.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propanethioylpropanethiohydrazide;pyridine is sourced from PubChem (CID 160799878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).