1-methylsulfanylpentan-2-ylhydrazine

C6H16N2S — CID 105213777

IUPAC1-methylsulfanylpentan-2-ylhydrazine
SMILESCCCC(CSC)NN
InChIInChI=1S/C6H16N2S/c1-3-4-6(8-7)5-9-2/h6,8H,3-5,7H2,1-2H3
InChIKeyPKUNBEANPVOLBX-UHFFFAOYSA-N
MW148.28 g/mol
LogP0.98
Rot. Bonds5

About 1-methylsulfanylpentan-2-ylhydrazine

1-methylsulfanylpentan-2-ylhydrazine (PubChem CID 105213777) has the molecular formula C6H16N2S and a molecular weight of 148.28 g/mol. Its IUPAC name is 1-methylsulfanylpentan-2-ylhydrazine.

Molecular Properties

Compound Name1-methylsulfanylpentan-2-ylhydrazine
PubChem CID105213777
Molecular FormulaC6H16N2S
Molecular Weight148.28 g/mol
Exact Mass148.10
IUPAC Name1-methylsulfanylpentan-2-ylhydrazine
SMILESCCCC(CSC)NN
InChIInChI=1S/C6H16N2S/c1-3-4-6(8-7)5-9-2/h6,8H,3-5,7H2,1-2H3
InChIKeyPKUNBEANPVOLBX-UHFFFAOYSA-N
XLogP0.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylpentan-2-ylhydrazine?
The IUPAC name of 1-methylsulfanylpentan-2-ylhydrazine (CID 105213777) is 1-methylsulfanylpentan-2-ylhydrazine.
What is the SMILES notation for 1-methylsulfanylpentan-2-ylhydrazine?
The canonical SMILES for 1-methylsulfanylpentan-2-ylhydrazine is CCCC(CSC)NN.
What is the InChIKey of 1-methylsulfanylpentan-2-ylhydrazine?
The InChIKey is PKUNBEANPVOLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2S/c1-3-4-6(8-7)5-9-2/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-methylsulfanylpentan-2-ylhydrazine?
1-methylsulfanylpentan-2-ylhydrazine has a molecular weight of 148.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylpentan-2-ylhydrazine is sourced from PubChem (CID 105213777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).