[1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine

C9H20N2OS — CID 105213854

IUPAC[1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESCSCC(CCC1CCCO1)NN
InChIInChI=1S/C9H20N2OS/c1-13-7-8(11-10)4-5-9-3-2-6-12-9/h8-9,11H,2-7,10H2,1H3
InChIKeyODAGYXIZQNKNLQ-UHFFFAOYSA-N
MW204.34 g/mol
LogP1.14
Rot. Bonds6

About [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine

[1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine (PubChem CID 105213854) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
PubChem CID105213854
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name[1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESCSCC(CCC1CCCO1)NN
InChIInChI=1S/C9H20N2OS/c1-13-7-8(11-10)4-5-9-3-2-6-12-9/h8-9,11H,2-7,10H2,1H3
InChIKeyODAGYXIZQNKNLQ-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.14
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine (CID 105213854) is [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine is CSCC(CCC1CCCO1)NN.
What is the InChIKey of [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine?
The InChIKey is ODAGYXIZQNKNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-13-7-8(11-10)4-5-9-3-2-6-12-9/h8-9,11H,2-7,10H2,1H3.
What are the key properties of [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine?
[1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine has a molecular weight of 204.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methylsulfanyl-4-(oxolan-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105213854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).