3,4,5-triethyl-1,3-thiazolidine-2-thione

C9H17NS2 — CID 21324724

IUPAC3,4,5-triethyl-1,3-thiazolidine-2-thione
SMILESCCC1SC(=S)N(CC)C1CC
InChIInChI=1S/C9H17NS2/c1-4-7-8(5-2)12-9(11)10(7)6-3/h7-8H,4-6H2,1-3H3
InChIKeyZHFHLROQDNAWKG-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.90
Rot. Bonds3

About 3,4,5-triethyl-1,3-thiazolidine-2-thione

3,4,5-triethyl-1,3-thiazolidine-2-thione (PubChem CID 21324724) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 3,4,5-triethyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3,4,5-triethyl-1,3-thiazolidine-2-thione
PubChem CID21324724
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name3,4,5-triethyl-1,3-thiazolidine-2-thione
SMILESCCC1SC(=S)N(CC)C1CC
InChIInChI=1S/C9H17NS2/c1-4-7-8(5-2)12-9(11)10(7)6-3/h7-8H,4-6H2,1-3H3
InChIKeyZHFHLROQDNAWKG-UHFFFAOYSA-N
XLogP2.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,4,5-triethyl-1,3-thiazolidine-2-thione?
The IUPAC name of 3,4,5-triethyl-1,3-thiazolidine-2-thione (CID 21324724) is 3,4,5-triethyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3,4,5-triethyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 3,4,5-triethyl-1,3-thiazolidine-2-thione is CCC1SC(=S)N(CC)C1CC.
What is the InChIKey of 3,4,5-triethyl-1,3-thiazolidine-2-thione?
The InChIKey is ZHFHLROQDNAWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-4-7-8(5-2)12-9(11)10(7)6-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3,4,5-triethyl-1,3-thiazolidine-2-thione?
3,4,5-triethyl-1,3-thiazolidine-2-thione has a molecular weight of 203.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).