(2-methylthian-3-yl)hydrazine

C6H14N2S — CID 79953956

IUPAC(2-methylthian-3-yl)hydrazine
SMILESCC1SCCCC1NN
InChIInChI=1S/C6H14N2S/c1-5-6(8-7)3-2-4-9-5/h5-6,8H,2-4,7H2,1H3
InChIKeyYVCZZDOOFITBIQ-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.73
Rot. Bonds1

About (2-methylthian-3-yl)hydrazine

(2-methylthian-3-yl)hydrazine (PubChem CID 79953956) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is (2-methylthian-3-yl)hydrazine.

Molecular Properties

Compound Name(2-methylthian-3-yl)hydrazine
PubChem CID79953956
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Name(2-methylthian-3-yl)hydrazine
SMILESCC1SCCCC1NN
InChIInChI=1S/C6H14N2S/c1-5-6(8-7)3-2-4-9-5/h5-6,8H,2-4,7H2,1H3
InChIKeyYVCZZDOOFITBIQ-UHFFFAOYSA-N
XLogP0.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2-methylthian-3-yl)hydrazine?
The IUPAC name of (2-methylthian-3-yl)hydrazine (CID 79953956) is (2-methylthian-3-yl)hydrazine.
What is the SMILES notation for (2-methylthian-3-yl)hydrazine?
The canonical SMILES for (2-methylthian-3-yl)hydrazine is CC1SCCCC1NN.
What is the InChIKey of (2-methylthian-3-yl)hydrazine?
The InChIKey is YVCZZDOOFITBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c1-5-6(8-7)3-2-4-9-5/h5-6,8H,2-4,7H2,1H3.
What are the key properties of (2-methylthian-3-yl)hydrazine?
(2-methylthian-3-yl)hydrazine has a molecular weight of 146.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthian-3-yl)hydrazine is sourced from PubChem (CID 79953956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).