1-(2-methylthiolan-2-yl)oct-7-enylhydrazine

C13H26N2S — CID 107013114

IUPAC1-(2-methylthiolan-2-yl)oct-7-enylhydrazine
SMILESC=CCCCCCC(NN)C1(C)CCCS1
InChIInChI=1S/C13H26N2S/c1-3-4-5-6-7-9-12(15-14)13(2)10-8-11-16-13/h3,12,15H,1,4-11,14H2,2H3
InChIKeyKHBMMXJTSVVGMA-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.24
Rot. Bonds8

About 1-(2-methylthiolan-2-yl)oct-7-enylhydrazine

1-(2-methylthiolan-2-yl)oct-7-enylhydrazine (PubChem CID 107013114) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-(2-methylthiolan-2-yl)oct-7-enylhydrazine.

Molecular Properties

Compound Name1-(2-methylthiolan-2-yl)oct-7-enylhydrazine
PubChem CID107013114
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-(2-methylthiolan-2-yl)oct-7-enylhydrazine
SMILESC=CCCCCCC(NN)C1(C)CCCS1
InChIInChI=1S/C13H26N2S/c1-3-4-5-6-7-9-12(15-14)13(2)10-8-11-16-13/h3,12,15H,1,4-11,14H2,2H3
InChIKeyKHBMMXJTSVVGMA-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.24
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-(2-methylthiolan-2-yl)oct-7-enylhydrazine?
The IUPAC name of 1-(2-methylthiolan-2-yl)oct-7-enylhydrazine (CID 107013114) is 1-(2-methylthiolan-2-yl)oct-7-enylhydrazine.
What is the SMILES notation for 1-(2-methylthiolan-2-yl)oct-7-enylhydrazine?
The canonical SMILES for 1-(2-methylthiolan-2-yl)oct-7-enylhydrazine is C=CCCCCCC(NN)C1(C)CCCS1.
What is the InChIKey of 1-(2-methylthiolan-2-yl)oct-7-enylhydrazine?
The InChIKey is KHBMMXJTSVVGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-3-4-5-6-7-9-12(15-14)13(2)10-8-11-16-13/h3,12,15H,1,4-11,14H2,2H3.
What are the key properties of 1-(2-methylthiolan-2-yl)oct-7-enylhydrazine?
1-(2-methylthiolan-2-yl)oct-7-enylhydrazine has a molecular weight of 242.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiolan-2-yl)oct-7-enylhydrazine is sourced from PubChem (CID 107013114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).