1-methylsulfanylhept-6-en-2-ylhydrazine

C8H18N2S — CID 105213775

IUPAC1-methylsulfanylhept-6-en-2-ylhydrazine
SMILESC=CCCCC(CSC)NN
InChIInChI=1S/C8H18N2S/c1-3-4-5-6-8(10-9)7-11-2/h3,8,10H,1,4-7,9H2,2H3
InChIKeyCEZZPJNAMCERCN-UHFFFAOYSA-N
MW174.31 g/mol
LogP1.54
Rot. Bonds7

About 1-methylsulfanylhept-6-en-2-ylhydrazine

1-methylsulfanylhept-6-en-2-ylhydrazine (PubChem CID 105213775) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-methylsulfanylhept-6-en-2-ylhydrazine.

Molecular Properties

Compound Name1-methylsulfanylhept-6-en-2-ylhydrazine
PubChem CID105213775
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name1-methylsulfanylhept-6-en-2-ylhydrazine
SMILESC=CCCCC(CSC)NN
InChIInChI=1S/C8H18N2S/c1-3-4-5-6-8(10-9)7-11-2/h3,8,10H,1,4-7,9H2,2H3
InChIKeyCEZZPJNAMCERCN-UHFFFAOYSA-N
XLogP1.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylsulfanylhept-6-en-2-ylhydrazine?
The IUPAC name of 1-methylsulfanylhept-6-en-2-ylhydrazine (CID 105213775) is 1-methylsulfanylhept-6-en-2-ylhydrazine.
What is the SMILES notation for 1-methylsulfanylhept-6-en-2-ylhydrazine?
The canonical SMILES for 1-methylsulfanylhept-6-en-2-ylhydrazine is C=CCCCC(CSC)NN.
What is the InChIKey of 1-methylsulfanylhept-6-en-2-ylhydrazine?
The InChIKey is CEZZPJNAMCERCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-3-4-5-6-8(10-9)7-11-2/h3,8,10H,1,4-7,9H2,2H3.
What are the key properties of 1-methylsulfanylhept-6-en-2-ylhydrazine?
1-methylsulfanylhept-6-en-2-ylhydrazine has a molecular weight of 174.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylhept-6-en-2-ylhydrazine is sourced from PubChem (CID 105213775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).