4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione

C6H10N2S3 — CID 45094802

IUPAC4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione
SMILESCC/N=c1\ssc(=S)n1CC
InChIInChI=1S/C6H10N2S3/c1-3-7-5-8(4-2)6(9)11-10-5/h3-4H2,1-2H3/b7-5-
InChIKeyICMPHVOVYGKOAX-ALCCZGGFSA-N
MW206.36 g/mol
LogP2.28
Rot. Bonds2

About 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione

4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione (PubChem CID 45094802) has the molecular formula C6H10N2S3 and a molecular weight of 206.36 g/mol. Its IUPAC name is 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione.

Molecular Properties

Compound Name4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione
PubChem CID45094802
Molecular FormulaC6H10N2S3
Molecular Weight206.36 g/mol
Exact Mass206.00
IUPAC Name4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione
SMILESCC/N=c1\ssc(=S)n1CC
InChIInChI=1S/C6H10N2S3/c1-3-7-5-8(4-2)6(9)11-10-5/h3-4H2,1-2H3/b7-5-
InChIKeyICMPHVOVYGKOAX-ALCCZGGFSA-N
XLogP2.28
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione?
The IUPAC name of 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione (CID 45094802) is 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione.
What is the SMILES notation for 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione?
The canonical SMILES for 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione is CC/N=c1\ssc(=S)n1CC.
What is the InChIKey of 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione?
The InChIKey is ICMPHVOVYGKOAX-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H10N2S3/c1-3-7-5-8(4-2)6(9)11-10-5/h3-4H2,1-2H3/b7-5-.
What are the key properties of 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione?
4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione has a molecular weight of 206.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-ethylimino-1,2,4-dithiazolidine-3-thione is sourced from PubChem (CID 45094802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).