2-sulfanylthiadiazolidine-5-thione

C2H4N2S3 — CID 54227859

IUPAC2-sulfanylthiadiazolidine-5-thione
SMILESS=C1CNN(S)S1
InChIInChI=1S/C2H4N2S3/c5-2-1-3-4(6)7-2/h3,6H,1H2
InChIKeyQHCZGIWMLLHBOP-UHFFFAOYSA-N
MW152.27 g/mol
LogP0.63
Rot. Bonds

About 2-sulfanylthiadiazolidine-5-thione

2-sulfanylthiadiazolidine-5-thione (PubChem CID 54227859) has the molecular formula C2H4N2S3 and a molecular weight of 152.27 g/mol. Its IUPAC name is 2-sulfanylthiadiazolidine-5-thione.

Molecular Properties

Compound Name2-sulfanylthiadiazolidine-5-thione
PubChem CID54227859
Molecular FormulaC2H4N2S3
Molecular Weight152.27 g/mol
Exact Mass151.95
IUPAC Name2-sulfanylthiadiazolidine-5-thione
SMILESS=C1CNN(S)S1
InChIInChI=1S/C2H4N2S3/c5-2-1-3-4(6)7-2/h3,6H,1H2
InChIKeyQHCZGIWMLLHBOP-UHFFFAOYSA-N
XLogP0.63
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_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-sulfanylthiadiazolidine-5-thione?
The IUPAC name of 2-sulfanylthiadiazolidine-5-thione (CID 54227859) is 2-sulfanylthiadiazolidine-5-thione.
What is the SMILES notation for 2-sulfanylthiadiazolidine-5-thione?
The canonical SMILES for 2-sulfanylthiadiazolidine-5-thione is S=C1CNN(S)S1.
What is the InChIKey of 2-sulfanylthiadiazolidine-5-thione?
The InChIKey is QHCZGIWMLLHBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2S3/c5-2-1-3-4(6)7-2/h3,6H,1H2.
What are the key properties of 2-sulfanylthiadiazolidine-5-thione?
2-sulfanylthiadiazolidine-5-thione has a molecular weight of 152.27 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylthiadiazolidine-5-thione is sourced from PubChem (CID 54227859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).