1-methylsulfanylhex-5-en-3-ylhydrazine

C7H16N2S — CID 105289612

IUPAC1-methylsulfanylhex-5-en-3-ylhydrazine
SMILESC=CCC(CCSC)NN
InChIInChI=1S/C7H16N2S/c1-3-4-7(9-8)5-6-10-2/h3,7,9H,1,4-6,8H2,2H3
InChIKeyFRXOBRZSVGUNBH-UHFFFAOYSA-N
MW160.29 g/mol
LogP1.15
Rot. Bonds6

About 1-methylsulfanylhex-5-en-3-ylhydrazine

1-methylsulfanylhex-5-en-3-ylhydrazine (PubChem CID 105289612) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 1-methylsulfanylhex-5-en-3-ylhydrazine.

Molecular Properties

Compound Name1-methylsulfanylhex-5-en-3-ylhydrazine
PubChem CID105289612
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name1-methylsulfanylhex-5-en-3-ylhydrazine
SMILESC=CCC(CCSC)NN
InChIInChI=1S/C7H16N2S/c1-3-4-7(9-8)5-6-10-2/h3,7,9H,1,4-6,8H2,2H3
InChIKeyFRXOBRZSVGUNBH-UHFFFAOYSA-N
XLogP1.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylhex-5-en-3-ylhydrazine?
The IUPAC name of 1-methylsulfanylhex-5-en-3-ylhydrazine (CID 105289612) is 1-methylsulfanylhex-5-en-3-ylhydrazine.
What is the SMILES notation for 1-methylsulfanylhex-5-en-3-ylhydrazine?
The canonical SMILES for 1-methylsulfanylhex-5-en-3-ylhydrazine is C=CCC(CCSC)NN.
What is the InChIKey of 1-methylsulfanylhex-5-en-3-ylhydrazine?
The InChIKey is FRXOBRZSVGUNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-3-4-7(9-8)5-6-10-2/h3,7,9H,1,4-6,8H2,2H3.
What are the key properties of 1-methylsulfanylhex-5-en-3-ylhydrazine?
1-methylsulfanylhex-5-en-3-ylhydrazine has a molecular weight of 160.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylhex-5-en-3-ylhydrazine is sourced from PubChem (CID 105289612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).