4-(disulfanyl)pyrazolidine

C3H8N2S2 — CID 19376814

IUPAC4-(disulfanyl)pyrazolidine
SMILESSSC1CNNC1
InChIInChI=1S/C3H8N2S2/c6-7-3-1-4-5-2-3/h3-6H,1-2H2
InChIKeyBHIVGOWIIHXBBL-UHFFFAOYSA-N
MW136.24 g/mol
LogP0.04
Rot. Bonds1

About 4-(disulfanyl)pyrazolidine

4-(disulfanyl)pyrazolidine (PubChem CID 19376814) has the molecular formula C3H8N2S2 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4-(disulfanyl)pyrazolidine.

Molecular Properties

Compound Name4-(disulfanyl)pyrazolidine
PubChem CID19376814
Molecular FormulaC3H8N2S2
Molecular Weight136.24 g/mol
Exact Mass136.01
IUPAC Name4-(disulfanyl)pyrazolidine
SMILESSSC1CNNC1
InChIInChI=1S/C3H8N2S2/c6-7-3-1-4-5-2-3/h3-6H,1-2H2
InChIKeyBHIVGOWIIHXBBL-UHFFFAOYSA-N
XLogP0.04
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(disulfanyl)pyrazolidine?
The IUPAC name of 4-(disulfanyl)pyrazolidine (CID 19376814) is 4-(disulfanyl)pyrazolidine.
What is the SMILES notation for 4-(disulfanyl)pyrazolidine?
The canonical SMILES for 4-(disulfanyl)pyrazolidine is SSC1CNNC1.
What is the InChIKey of 4-(disulfanyl)pyrazolidine?
The InChIKey is BHIVGOWIIHXBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S2/c6-7-3-1-4-5-2-3/h3-6H,1-2H2.
What are the key properties of 4-(disulfanyl)pyrazolidine?
4-(disulfanyl)pyrazolidine has a molecular weight of 136.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(disulfanyl)pyrazolidine is sourced from PubChem (CID 19376814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).