2-sulfanylthiadiazolidine

C2H6N2S2 — CID 175401375

IUPAC2-sulfanylthiadiazolidine
SMILESSN1NCCS1
InChIInChI=1S/C2H6N2S2/c5-4-3-1-2-6-4/h3,5H,1-2H2
InChIKeyQFSQFLDKOFJVGO-UHFFFAOYSA-N
MW122.22 g/mol
LogP0.30
Rot. Bonds

About 2-sulfanylthiadiazolidine

2-sulfanylthiadiazolidine (PubChem CID 175401375) has the molecular formula C2H6N2S2 and a molecular weight of 122.22 g/mol. Its IUPAC name is 2-sulfanylthiadiazolidine.

Molecular Properties

Compound Name2-sulfanylthiadiazolidine
PubChem CID175401375
Molecular FormulaC2H6N2S2
Molecular Weight122.22 g/mol
Exact Mass122.00
IUPAC Name2-sulfanylthiadiazolidine
SMILESSN1NCCS1
InChIInChI=1S/C2H6N2S2/c5-4-3-1-2-6-4/h3,5H,1-2H2
InChIKeyQFSQFLDKOFJVGO-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dihydrothiadiazol-2-amine
CID 20527895
Thiadiazolidine
CID 21887071
Thiadiazolidin-2-ium 2-oxide
CID 57010971
Thiadiazolidine-2-sulfonamide
CID 91315494
2-Sulfanylidenethiadiazolidin-2-ium
CID 20163164
2-Hydroxythiadiazolidine
CID 23067435
2-Aminothiadiazolidine-5-thione
CID 53787274
2-Sulfanylthiadiazolidine-5-thione
CID 54227859
2-Sulfanylidenethiadiazolidin-2-ium-5-thiol
CID 57029282
2-Methylthiadiazolidine
CID 57052603
1lambda4-Thia-2,3-diazacyclopenten-1-amine
CID 68809337
1-Sulfanyl-1lambda4-thia-2,3-diazacyclopentene
CID 87894694

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylthiadiazolidine?
The IUPAC name of 2-sulfanylthiadiazolidine (CID 175401375) is 2-sulfanylthiadiazolidine.
What is the SMILES notation for 2-sulfanylthiadiazolidine?
The canonical SMILES for 2-sulfanylthiadiazolidine is SN1NCCS1.
What is the InChIKey of 2-sulfanylthiadiazolidine?
The InChIKey is QFSQFLDKOFJVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2S2/c5-4-3-1-2-6-4/h3,5H,1-2H2.
What are the key properties of 2-sulfanylthiadiazolidine?
2-sulfanylthiadiazolidine has a molecular weight of 122.22 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylthiadiazolidine is sourced from PubChem (CID 175401375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).