(3R,4S)-3,4-diazidothiolane

C4H6N6S — CID 89359804

IUPAC(3R,4S)-3,4-diazidothiolane
SMILES[N-]=[N+]=N[C@H]1CSC[C@H]1N=[N+]=[N-]
InChIInChI=1S/C4H6N6S/c5-9-7-3-1-11-2-4(3)8-10-6/h3-4H,1-2H2/t3-,4+
InChIKeyLTLZOVCDDGGXEG-ZXZARUISSA-N
MW170.20 g/mol
LogP2.09
Rot. Bonds2

About (3R,4S)-3,4-diazidothiolane

(3R,4S)-3,4-diazidothiolane (PubChem CID 89359804) has the molecular formula C4H6N6S and a molecular weight of 170.20 g/mol. Its IUPAC name is (3R,4S)-3,4-diazidothiolane.

Molecular Properties

Compound Name(3R,4S)-3,4-diazidothiolane
PubChem CID89359804
Molecular FormulaC4H6N6S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name(3R,4S)-3,4-diazidothiolane
SMILES[N-]=[N+]=N[C@H]1CSC[C@H]1N=[N+]=[N-]
InChIInChI=1S/C4H6N6S/c5-9-7-3-1-11-2-4(3)8-10-6/h3-4H,1-2H2/t3-,4+
InChIKeyLTLZOVCDDGGXEG-ZXZARUISSA-N
XLogP2.09
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R,4S)-3,4-diazidothiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-diazidothiolane?
The IUPAC name of (3R,4S)-3,4-diazidothiolane (CID 89359804) is (3R,4S)-3,4-diazidothiolane.
What is the SMILES notation for (3R,4S)-3,4-diazidothiolane?
The canonical SMILES for (3R,4S)-3,4-diazidothiolane is [N-]=[N+]=N[C@H]1CSC[C@H]1N=[N+]=[N-].
What is the InChIKey of (3R,4S)-3,4-diazidothiolane?
The InChIKey is LTLZOVCDDGGXEG-ZXZARUISSA-N. The full InChI is InChI=1S/C4H6N6S/c5-9-7-3-1-11-2-4(3)8-10-6/h3-4H,1-2H2/t3-,4+.
What are the key properties of (3R,4S)-3,4-diazidothiolane?
(3R,4S)-3,4-diazidothiolane has a molecular weight of 170.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-diazidothiolane is sourced from PubChem (CID 89359804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).