[3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine

C10H20N2S — CID 105320219

IUPAC[3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine
SMILESC=C(C)C(CC1CCSCC1)NN
InChIInChI=1S/C10H20N2S/c1-8(2)10(12-11)7-9-3-5-13-6-4-9/h9-10,12H,1,3-7,11H2,2H3
InChIKeyJZGWHNDFZUBTFM-UHFFFAOYSA-N
MW200.35 g/mol
LogP1.93
Rot. Bonds4

About [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine

[3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine (PubChem CID 105320219) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine
PubChem CID105320219
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name[3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine
SMILESC=C(C)C(CC1CCSCC1)NN
InChIInChI=1S/C10H20N2S/c1-8(2)10(12-11)7-9-3-5-13-6-4-9/h9-10,12H,1,3-7,11H2,2H3
InChIKeyJZGWHNDFZUBTFM-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine?
The IUPAC name of [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine (CID 105320219) is [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine.
What is the SMILES notation for [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine?
The canonical SMILES for [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine is C=C(C)C(CC1CCSCC1)NN.
What is the InChIKey of [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine?
The InChIKey is JZGWHNDFZUBTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S/c1-8(2)10(12-11)7-9-3-5-13-6-4-9/h9-10,12H,1,3-7,11H2,2H3.
What are the key properties of [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine?
[3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine has a molecular weight of 200.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(thian-4-yl)but-3-en-2-yl]hydrazine is sourced from PubChem (CID 105320219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).