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

C9H16N2S2 — CID 103347376

IUPAC1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C9H16N2S2/c1-4-8(11-10)9-5-12-6(2)7(3)13-9/h1,6-9,11H,5,10H2,2-3H3
InChIKeyHBVVLHZGMOJSTN-UHFFFAOYSA-N
MW216.38 g/mol
LogP1.08
Rot. Bonds2

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

1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine (PubChem CID 103347376) has the molecular formula C9H16N2S2 and a molecular weight of 216.38 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
PubChem CID103347376
Molecular FormulaC9H16N2S2
Molecular Weight216.38 g/mol
Exact Mass216.08
IUPAC Name1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
SMILESC#CC(NN)C1CSC(C)C(C)S1
InChIInChI=1S/C9H16N2S2/c1-4-8(11-10)9-5-12-6(2)7(3)13-9/h1,6-9,11H,5,10H2,2-3H3
InChIKeyHBVVLHZGMOJSTN-UHFFFAOYSA-N
XLogP1.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.38
LogP ≤ 51.08
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)prop-2-ynylhydrazine?
The IUPAC name of 1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine (CID 103347376) is 1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine.
What is the SMILES notation for 1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine?
The canonical SMILES for 1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine is C#CC(NN)C1CSC(C)C(C)S1.
What is the InChIKey of 1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine?
The InChIKey is HBVVLHZGMOJSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-4-8(11-10)9-5-12-6(2)7(3)13-9/h1,6-9,11H,5,10H2,2-3H3.
What are the key properties of 1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine?
1-(5,6-dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine has a molecular weight of 216.38 g/mol, XLogP of 1.08, 2 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)prop-2-ynylhydrazine is sourced from PubChem (CID 103347376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).