5-(dimethylamino)-1,3-dithiane-2-thione

C6H11NS3 — CID 71346719

IUPAC5-(dimethylamino)-1,3-dithiane-2-thione
SMILESCN(C)C1CSC(=S)SC1
InChIInChI=1S/C6H11NS3/c1-7(2)5-3-9-6(8)10-4-5/h5H,3-4H2,1-2H3
InChIKeyIAVBLAORORMKTP-UHFFFAOYSA-N
MW193.36 g/mol
LogP1.68
Rot. Bonds1

About 5-(dimethylamino)-1,3-dithiane-2-thione

5-(dimethylamino)-1,3-dithiane-2-thione (PubChem CID 71346719) has the molecular formula C6H11NS3 and a molecular weight of 193.36 g/mol. Its IUPAC name is 5-(dimethylamino)-1,3-dithiane-2-thione.

Molecular Properties

Compound Name5-(dimethylamino)-1,3-dithiane-2-thione
PubChem CID71346719
Molecular FormulaC6H11NS3
Molecular Weight193.36 g/mol
Exact Mass193.01
IUPAC Name5-(dimethylamino)-1,3-dithiane-2-thione
SMILESCN(C)C1CSC(=S)SC1
InChIInChI=1S/C6H11NS3/c1-7(2)5-3-9-6(8)10-4-5/h5H,3-4H2,1-2H3
InChIKeyIAVBLAORORMKTP-UHFFFAOYSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethylamino)-1,3-dithiane-2-thione?
The IUPAC name of 5-(dimethylamino)-1,3-dithiane-2-thione (CID 71346719) is 5-(dimethylamino)-1,3-dithiane-2-thione.
What is the SMILES notation for 5-(dimethylamino)-1,3-dithiane-2-thione?
The canonical SMILES for 5-(dimethylamino)-1,3-dithiane-2-thione is CN(C)C1CSC(=S)SC1.
What is the InChIKey of 5-(dimethylamino)-1,3-dithiane-2-thione?
The InChIKey is IAVBLAORORMKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS3/c1-7(2)5-3-9-6(8)10-4-5/h5H,3-4H2,1-2H3.
What are the key properties of 5-(dimethylamino)-1,3-dithiane-2-thione?
5-(dimethylamino)-1,3-dithiane-2-thione has a molecular weight of 193.36 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,3-dithiane-2-thione is sourced from PubChem (CID 71346719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).