thian-3-ylhydrazine

C5H12N2S — CID 62872778

IUPACthian-3-ylhydrazine
SMILESNNC1CCCSC1
InChIInChI=1S/C5H12N2S/c6-7-5-2-1-3-8-4-5/h5,7H,1-4,6H2
InChIKeyANJZJUPUJVJQDE-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.35
Rot. Bonds1

About thian-3-ylhydrazine

thian-3-ylhydrazine (PubChem CID 62872778) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is thian-3-ylhydrazine.

Molecular Properties

Compound Namethian-3-ylhydrazine
PubChem CID62872778
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC Namethian-3-ylhydrazine
SMILESNNC1CCCSC1
InChIInChI=1S/C5H12N2S/c6-7-5-2-1-3-8-4-5/h5,7H,1-4,6H2
InChIKeyANJZJUPUJVJQDE-UHFFFAOYSA-N
XLogP0.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.35
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-ylhydrazine?
The IUPAC name of thian-3-ylhydrazine (CID 62872778) is thian-3-ylhydrazine.
What is the SMILES notation for thian-3-ylhydrazine?
The canonical SMILES for thian-3-ylhydrazine is NNC1CCCSC1.
What is the InChIKey of thian-3-ylhydrazine?
The InChIKey is ANJZJUPUJVJQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c6-7-5-2-1-3-8-4-5/h5,7H,1-4,6H2.
What are the key properties of thian-3-ylhydrazine?
thian-3-ylhydrazine has a molecular weight of 132.23 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thian-3-ylhydrazine is sourced from PubChem (CID 62872778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).