5-(diethylamino)-1,2,4-dithiazole-3-thione

C6H10N2S3 — CID 119098636

IUPAC5-(diethylamino)-1,2,4-dithiazole-3-thione
SMILESCCN(CC)c1nc(=S)ss1
InChIInChI=1S/C6H10N2S3/c1-3-8(4-2)5-7-6(9)11-10-5/h3-4H2,1-2H3
InChIKeyAGVPMKDNDRLHGF-UHFFFAOYSA-N
MW206.36 g/mol
LogP2.78
Rot. Bonds3

About 5-(diethylamino)-1,2,4-dithiazole-3-thione

5-(diethylamino)-1,2,4-dithiazole-3-thione (PubChem CID 119098636) has the molecular formula C6H10N2S3 and a molecular weight of 206.36 g/mol. Its IUPAC name is 5-(diethylamino)-1,2,4-dithiazole-3-thione.

Molecular Properties

Compound Name5-(diethylamino)-1,2,4-dithiazole-3-thione
PubChem CID119098636
Molecular FormulaC6H10N2S3
Molecular Weight206.36 g/mol
Exact Mass206.00
IUPAC Name5-(diethylamino)-1,2,4-dithiazole-3-thione
SMILESCCN(CC)c1nc(=S)ss1
InChIInChI=1S/C6H10N2S3/c1-3-8(4-2)5-7-6(9)11-10-5/h3-4H2,1-2H3
InChIKeyAGVPMKDNDRLHGF-UHFFFAOYSA-N
XLogP2.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.78
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 5-(diethylamino)-1,2,4-dithiazole-3-thione?
The IUPAC name of 5-(diethylamino)-1,2,4-dithiazole-3-thione (CID 119098636) is 5-(diethylamino)-1,2,4-dithiazole-3-thione.
What is the SMILES notation for 5-(diethylamino)-1,2,4-dithiazole-3-thione?
The canonical SMILES for 5-(diethylamino)-1,2,4-dithiazole-3-thione is CCN(CC)c1nc(=S)ss1.
What is the InChIKey of 5-(diethylamino)-1,2,4-dithiazole-3-thione?
The InChIKey is AGVPMKDNDRLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S3/c1-3-8(4-2)5-7-6(9)11-10-5/h3-4H2,1-2H3.
What are the key properties of 5-(diethylamino)-1,2,4-dithiazole-3-thione?
5-(diethylamino)-1,2,4-dithiazole-3-thione has a molecular weight of 206.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-1,2,4-dithiazole-3-thione is sourced from PubChem (CID 119098636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).