1-hydrazinylbutane-1,3-dithiol

C4H12N2S2 — CID 141493023

IUPAC1-hydrazinylbutane-1,3-dithiol
SMILESCC(S)CC(S)NN
InChIInChI=1S/C4H12N2S2/c1-3(7)2-4(8)6-5/h3-4,6-8H,2,5H2,1H3
InChIKeyITAZUZPJCZSHTQ-UHFFFAOYSA-N
MW152.29 g/mol
LogP0.41
Rot. Bonds3

About 1-hydrazinylbutane-1,3-dithiol

1-hydrazinylbutane-1,3-dithiol (PubChem CID 141493023) has the molecular formula C4H12N2S2 and a molecular weight of 152.29 g/mol. Its IUPAC name is 1-hydrazinylbutane-1,3-dithiol.

Molecular Properties

Compound Name1-hydrazinylbutane-1,3-dithiol
PubChem CID141493023
Molecular FormulaC4H12N2S2
Molecular Weight152.29 g/mol
Exact Mass152.04
IUPAC Name1-hydrazinylbutane-1,3-dithiol
SMILESCC(S)CC(S)NN
InChIInChI=1S/C4H12N2S2/c1-3(7)2-4(8)6-5/h3-4,6-8H,2,5H2,1H3
InChIKeyITAZUZPJCZSHTQ-UHFFFAOYSA-N
XLogP0.41
TPSA38.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.29
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydrazinylbutane-1,3-dithiol?
The IUPAC name of 1-hydrazinylbutane-1,3-dithiol (CID 141493023) is 1-hydrazinylbutane-1,3-dithiol.
What is the SMILES notation for 1-hydrazinylbutane-1,3-dithiol?
The canonical SMILES for 1-hydrazinylbutane-1,3-dithiol is CC(S)CC(S)NN.
What is the InChIKey of 1-hydrazinylbutane-1,3-dithiol?
The InChIKey is ITAZUZPJCZSHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2S2/c1-3(7)2-4(8)6-5/h3-4,6-8H,2,5H2,1H3.
What are the key properties of 1-hydrazinylbutane-1,3-dithiol?
1-hydrazinylbutane-1,3-dithiol has a molecular weight of 152.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylbutane-1,3-dithiol is sourced from PubChem (CID 141493023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).