1-(1,1-dioxothian-2-yl)but-3-enylhydrazine

C9H18N2O2S — CID 105289661

IUPAC1-(1,1-dioxothian-2-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-2-5-8(11-10)9-6-3-4-7-14(9,12)13/h2,8-9,11H,1,3-7,10H2
InChIKeyHAYVOWOLQNSKIH-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.36
Rot. Bonds4

About 1-(1,1-dioxothian-2-yl)but-3-enylhydrazine

1-(1,1-dioxothian-2-yl)but-3-enylhydrazine (PubChem CID 105289661) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)but-3-enylhydrazine
PubChem CID105289661
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name1-(1,1-dioxothian-2-yl)but-3-enylhydrazine
SMILESC=CCC(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C9H18N2O2S/c1-2-5-8(11-10)9-6-3-4-7-14(9,12)13/h2,8-9,11H,1,3-7,10H2
InChIKeyHAYVOWOLQNSKIH-UHFFFAOYSA-N
XLogP0.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(1,1-dioxothian-2-yl)but-3-enylhydrazine?
The IUPAC name of 1-(1,1-dioxothian-2-yl)but-3-enylhydrazine (CID 105289661) is 1-(1,1-dioxothian-2-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)but-3-enylhydrazine is C=CCC(NN)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)but-3-enylhydrazine?
The InChIKey is HAYVOWOLQNSKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-2-5-8(11-10)9-6-3-4-7-14(9,12)13/h2,8-9,11H,1,3-7,10H2.
What are the key properties of 1-(1,1-dioxothian-2-yl)but-3-enylhydrazine?
1-(1,1-dioxothian-2-yl)but-3-enylhydrazine has a molecular weight of 218.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)but-3-enylhydrazine is sourced from PubChem (CID 105289661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).