1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine

C10H18N2S2 — CID 103347205

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C10H18N2S2/c1-4-5-9(12-11)10-6-13-7(2)8(3)14-10/h1,7-10,12H,5-6,11H2,2-3H3
InChIKeyZLABYNUCPZGHBM-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.47
Rot. Bonds3

About 1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine

1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine (PubChem CID 103347205) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine
PubChem CID103347205
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine
SMILESC#CCC(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C10H18N2S2/c1-4-5-9(12-11)10-6-13-7(2)8(3)14-10/h1,7-10,12H,5-6,11H2,2-3H3
InChIKeyZLABYNUCPZGHBM-UHFFFAOYSA-N
XLogP1.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.47
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)but-3-ynylhydrazine?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine (CID 103347205) is 1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine is C#CCC(NN)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine?
The InChIKey is ZLABYNUCPZGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-4-5-9(12-11)10-6-13-7(2)8(3)14-10/h1,7-10,12H,5-6,11H2,2-3H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine?
1-(5,6-dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine has a molecular weight of 230.40 g/mol, XLogP of 1.47, 3 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)but-3-ynylhydrazine is sourced from PubChem (CID 103347205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).