1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine

C12H22N2S2 — CID 103347165

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C12H22N2S2/c1-4-5-6-7-11(14-13)12-8-15-9(2)10(3)16-12/h9-12,14H,6-8,13H2,1-3H3
InChIKeyWQQNNVIIZIRLDG-UHFFFAOYSA-N
MW258.46 g/mol
LogP2.25
Rot. Bonds4

About 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine

1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine (PubChem CID 103347165) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine
PubChem CID103347165
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C12H22N2S2/c1-4-5-6-7-11(14-13)12-8-15-9(2)10(3)16-12/h9-12,14H,6-8,13H2,1-3H3
InChIKeyWQQNNVIIZIRLDG-UHFFFAOYSA-N
XLogP2.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine (CID 103347165) is 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine is CC#CCCC(NN)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine?
The InChIKey is WQQNNVIIZIRLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-4-5-6-7-11(14-13)12-8-15-9(2)10(3)16-12/h9-12,14H,6-8,13H2,1-3H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine?
1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine has a molecular weight of 258.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine is sourced from PubChem (CID 103347165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).