4-(disulfanyl)pyrazolidine;dihydrochloride

C3H10Cl2N2S2 — CID 19376815

IUPAC4-(disulfanyl)pyrazolidine;dihydrochloride
SMILESCl.Cl.SSC1CNNC1
InChIInChI=1S/C3H8N2S2.2ClH/c6-7-3-1-4-5-2-3;;/h3-6H,1-2H2;2*1H
InChIKeyYSQJWQRRRSNIHF-UHFFFAOYSA-N
MW209.17 g/mol
LogP0.88
Rot. Bonds1

About 4-(disulfanyl)pyrazolidine;dihydrochloride

4-(disulfanyl)pyrazolidine;dihydrochloride (PubChem CID 19376815) has the molecular formula C3H10Cl2N2S2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 4-(disulfanyl)pyrazolidine;dihydrochloride.

Molecular Properties

Compound Name4-(disulfanyl)pyrazolidine;dihydrochloride
PubChem CID19376815
Molecular FormulaC3H10Cl2N2S2
Molecular Weight209.17 g/mol
Exact Mass207.97
IUPAC Name4-(disulfanyl)pyrazolidine;dihydrochloride
SMILESCl.Cl.SSC1CNNC1
InChIInChI=1S/C3H8N2S2.2ClH/c6-7-3-1-4-5-2-3;;/h3-6H,1-2H2;2*1H
InChIKeyYSQJWQRRRSNIHF-UHFFFAOYSA-N
XLogP0.88
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.88
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;dihydrochloride?
The IUPAC name of 4-(disulfanyl)pyrazolidine;dihydrochloride (CID 19376815) is 4-(disulfanyl)pyrazolidine;dihydrochloride.
What is the SMILES notation for 4-(disulfanyl)pyrazolidine;dihydrochloride?
The canonical SMILES for 4-(disulfanyl)pyrazolidine;dihydrochloride is Cl.Cl.SSC1CNNC1.
What is the InChIKey of 4-(disulfanyl)pyrazolidine;dihydrochloride?
The InChIKey is YSQJWQRRRSNIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S2.2ClH/c6-7-3-1-4-5-2-3;;/h3-6H,1-2H2;2*1H.
What are the key properties of 4-(disulfanyl)pyrazolidine;dihydrochloride?
4-(disulfanyl)pyrazolidine;dihydrochloride has a molecular weight of 209.17 g/mol, XLogP of 0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(disulfanyl)pyrazolidine;dihydrochloride is sourced from PubChem (CID 19376815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).