thian-3-ylmethylhydrazine

C6H14N2S — CID 84649121

IUPACthian-3-ylmethylhydrazine
SMILESNNCC1CCCSC1
InChIInChI=1S/C6H14N2S/c7-8-4-6-2-1-3-9-5-6/h6,8H,1-5,7H2
InChIKeyXRGRPUACPJKDNV-UHFFFAOYSA-N
MW146.26 g/mol
LogP0.59
Rot. Bonds2

About thian-3-ylmethylhydrazine

thian-3-ylmethylhydrazine (PubChem CID 84649121) has the molecular formula C6H14N2S and a molecular weight of 146.26 g/mol. Its IUPAC name is thian-3-ylmethylhydrazine.

Molecular Properties

Compound Namethian-3-ylmethylhydrazine
PubChem CID84649121
Molecular FormulaC6H14N2S
Molecular Weight146.26 g/mol
Exact Mass146.09
IUPAC Namethian-3-ylmethylhydrazine
SMILESNNCC1CCCSC1
InChIInChI=1S/C6H14N2S/c7-8-4-6-2-1-3-9-5-6/h6,8H,1-5,7H2
InChIKeyXRGRPUACPJKDNV-UHFFFAOYSA-N
XLogP0.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 50.59
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 thian-3-ylmethylhydrazine?
The IUPAC name of thian-3-ylmethylhydrazine (CID 84649121) is thian-3-ylmethylhydrazine.
What is the SMILES notation for thian-3-ylmethylhydrazine?
The canonical SMILES for thian-3-ylmethylhydrazine is NNCC1CCCSC1.
What is the InChIKey of thian-3-ylmethylhydrazine?
The InChIKey is XRGRPUACPJKDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2S/c7-8-4-6-2-1-3-9-5-6/h6,8H,1-5,7H2.
What are the key properties of thian-3-ylmethylhydrazine?
thian-3-ylmethylhydrazine has a molecular weight of 146.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thian-3-ylmethylhydrazine is sourced from PubChem (CID 84649121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).