3-cycloheptylidenepropanethiohydrazide

C10H18N2S — CID 163570199

IUPAC3-cycloheptylidenepropanethiohydrazide
SMILESNNC(=S)CC=C1CCCCCC1
InChIInChI=1S/C10H18N2S/c11-12-10(13)8-7-9-5-3-1-2-4-6-9/h7H,1-6,8,11H2,(H,12,13)
InChIKeyFYRNSDKHOQPSIH-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.45
Rot. Bonds2

About 3-cycloheptylidenepropanethiohydrazide

3-cycloheptylidenepropanethiohydrazide (PubChem CID 163570199) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-cycloheptylidenepropanethiohydrazide.

Molecular Properties

Compound Name3-cycloheptylidenepropanethiohydrazide
PubChem CID163570199
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name3-cycloheptylidenepropanethiohydrazide
SMILESNNC(=S)CC=C1CCCCCC1
InChIInChI=1S/C10H18N2S/c11-12-10(13)8-7-9-5-3-1-2-4-6-9/h7H,1-6,8,11H2,(H,12,13)
InChIKeyFYRNSDKHOQPSIH-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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 3-cycloheptylidenepropanethiohydrazide?
The IUPAC name of 3-cycloheptylidenepropanethiohydrazide (CID 163570199) is 3-cycloheptylidenepropanethiohydrazide.
What is the SMILES notation for 3-cycloheptylidenepropanethiohydrazide?
The canonical SMILES for 3-cycloheptylidenepropanethiohydrazide is NNC(=S)CC=C1CCCCCC1.
What is the InChIKey of 3-cycloheptylidenepropanethiohydrazide?
The InChIKey is FYRNSDKHOQPSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c11-12-10(13)8-7-9-5-3-1-2-4-6-9/h7H,1-6,8,11H2,(H,12,13).
What are the key properties of 3-cycloheptylidenepropanethiohydrazide?
3-cycloheptylidenepropanethiohydrazide has a molecular weight of 198.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptylidenepropanethiohydrazide is sourced from PubChem (CID 163570199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).