2-diazenylbutane-1,4-dithiol

C4H10N2S2 — CID 166589969

IUPAC2-diazenylbutane-1,4-dithiol
SMILES[H]/N=N/C(CS)CCS
InChIInChI=1S/C4H10N2S2/c5-6-4(3-8)1-2-7/h4-5,7-8H,1-3H2/b6-5+
InChIKeyPIMUKVVKPCAAFA-AATRIKPKSA-N
MW150.27 g/mol
LogP1.64
Rot. Bonds4

About 2-diazenylbutane-1,4-dithiol

2-diazenylbutane-1,4-dithiol (PubChem CID 166589969) has the molecular formula C4H10N2S2 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2-diazenylbutane-1,4-dithiol.

Molecular Properties

Compound Name2-diazenylbutane-1,4-dithiol
PubChem CID166589969
Molecular FormulaC4H10N2S2
Molecular Weight150.27 g/mol
Exact Mass150.03
IUPAC Name2-diazenylbutane-1,4-dithiol
SMILES[H]/N=N/C(CS)CCS
InChIInChI=1S/C4H10N2S2/c5-6-4(3-8)1-2-7/h4-5,7-8H,1-3H2/b6-5+
InChIKeyPIMUKVVKPCAAFA-AATRIKPKSA-N
XLogP1.64
TPSA36.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazenylbutane-1,4-dithiol?
The IUPAC name of 2-diazenylbutane-1,4-dithiol (CID 166589969) is 2-diazenylbutane-1,4-dithiol.
What is the SMILES notation for 2-diazenylbutane-1,4-dithiol?
The canonical SMILES for 2-diazenylbutane-1,4-dithiol is [H]/N=N/C(CS)CCS.
What is the InChIKey of 2-diazenylbutane-1,4-dithiol?
The InChIKey is PIMUKVVKPCAAFA-AATRIKPKSA-N. The full InChI is InChI=1S/C4H10N2S2/c5-6-4(3-8)1-2-7/h4-5,7-8H,1-3H2/b6-5+.
What are the key properties of 2-diazenylbutane-1,4-dithiol?
2-diazenylbutane-1,4-dithiol has a molecular weight of 150.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazenylbutane-1,4-dithiol is sourced from PubChem (CID 166589969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).