2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide

C10H20N2S — CID 170272475

IUPAC2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide
SMILESC/C=C\N(NC(=S)C(C)C)C(C)C
InChIInChI=1S/C10H20N2S/c1-6-7-12(9(4)5)11-10(13)8(2)3/h6-9H,1-5H3,(H,11,13)/b7-6-
InChIKeyPKGIKYDGKOQMDY-SREVYHEPSA-N
MW200.35 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide

2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide (PubChem CID 170272475) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide.

Molecular Properties

Compound Name2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide
PubChem CID170272475
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide
SMILESC/C=C\N(NC(=S)C(C)C)C(C)C
InChIInChI=1S/C10H20N2S/c1-6-7-12(9(4)5)11-10(13)8(2)3/h6-9H,1-5H3,(H,11,13)/b7-6-
InChIKeyPKGIKYDGKOQMDY-SREVYHEPSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide?
The IUPAC name of 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide (CID 170272475) is 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide.
What is the SMILES notation for 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide?
The canonical SMILES for 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide is C/C=C\N(NC(=S)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide?
The InChIKey is PKGIKYDGKOQMDY-SREVYHEPSA-N. The full InChI is InChI=1S/C10H20N2S/c1-6-7-12(9(4)5)11-10(13)8(2)3/h6-9H,1-5H3,(H,11,13)/b7-6-.
What are the key properties of 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide?
2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide has a molecular weight of 200.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-propan-2-yl-N'-[(Z)-prop-1-enyl]propanethiohydrazide is sourced from PubChem (CID 170272475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).