ethane;1,3,4-thiadiazolidine-2,5-dithione

C4H8N2S3 — CID 20520331

IUPACethane;1,3,4-thiadiazolidine-2,5-dithione
SMILESCC.S=c1[nH][nH]c(=S)s1
InChIInChI=1S/C2H2N2S3.C2H6/c5-1-3-4-2(6)7-1;1-2/h(H,3,5)(H,4,6);1-2H3
InChIKeyAXJIMQRLKWKYJV-UHFFFAOYSA-N
MW180.32 g/mol
LogP2.89
Rot. Bonds

About ethane;1,3,4-thiadiazolidine-2,5-dithione

ethane;1,3,4-thiadiazolidine-2,5-dithione (PubChem CID 20520331) has the molecular formula C4H8N2S3 and a molecular weight of 180.32 g/mol. Its IUPAC name is ethane;1,3,4-thiadiazolidine-2,5-dithione.

Molecular Properties

Compound Nameethane;1,3,4-thiadiazolidine-2,5-dithione
PubChem CID20520331
Molecular FormulaC4H8N2S3
Molecular Weight180.32 g/mol
Exact Mass179.98
IUPAC Nameethane;1,3,4-thiadiazolidine-2,5-dithione
SMILESCC.S=c1[nH][nH]c(=S)s1
InChIInChI=1S/C2H2N2S3.C2H6/c5-1-3-4-2(6)7-1;1-2/h(H,3,5)(H,4,6);1-2H3
InChIKeyAXJIMQRLKWKYJV-UHFFFAOYSA-N
XLogP2.89
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1,3,4-thiadiazolidine-2,5-dithione?
The IUPAC name of ethane;1,3,4-thiadiazolidine-2,5-dithione (CID 20520331) is ethane;1,3,4-thiadiazolidine-2,5-dithione.
What is the SMILES notation for ethane;1,3,4-thiadiazolidine-2,5-dithione?
The canonical SMILES for ethane;1,3,4-thiadiazolidine-2,5-dithione is CC.S=c1[nH][nH]c(=S)s1.
What is the InChIKey of ethane;1,3,4-thiadiazolidine-2,5-dithione?
The InChIKey is AXJIMQRLKWKYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2S3.C2H6/c5-1-3-4-2(6)7-1;1-2/h(H,3,5)(H,4,6);1-2H3.
What are the key properties of ethane;1,3,4-thiadiazolidine-2,5-dithione?
ethane;1,3,4-thiadiazolidine-2,5-dithione has a molecular weight of 180.32 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,3,4-thiadiazolidine-2,5-dithione is sourced from PubChem (CID 20520331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).