3-(2-methylphenyl)-1,3-thiazolidine-2-thione

C10H11NS2 — CID 21324754

IUPAC3-(2-methylphenyl)-1,3-thiazolidine-2-thione
SMILESCc1ccccc1N1CCSC1=S
InChIInChI=1S/C10H11NS2/c1-8-4-2-3-5-9(8)11-6-7-13-10(11)12/h2-5H,6-7H2,1H3
InChIKeyKUCYRGZURSMEQU-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.83
Rot. Bonds1

About 3-(2-methylphenyl)-1,3-thiazolidine-2-thione

3-(2-methylphenyl)-1,3-thiazolidine-2-thione (PubChem CID 21324754) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(2-methylphenyl)-1,3-thiazolidine-2-thione
PubChem CID21324754
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name3-(2-methylphenyl)-1,3-thiazolidine-2-thione
SMILESCc1ccccc1N1CCSC1=S
InChIInChI=1S/C10H11NS2/c1-8-4-2-3-5-9(8)11-6-7-13-10(11)12/h2-5H,6-7H2,1H3
InChIKeyKUCYRGZURSMEQU-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.83
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-(2-methylphenyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(2-methylphenyl)-1,3-thiazolidine-2-thione (CID 21324754) is 3-(2-methylphenyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(2-methylphenyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(2-methylphenyl)-1,3-thiazolidine-2-thione is Cc1ccccc1N1CCSC1=S.
What is the InChIKey of 3-(2-methylphenyl)-1,3-thiazolidine-2-thione?
The InChIKey is KUCYRGZURSMEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-8-4-2-3-5-9(8)11-6-7-13-10(11)12/h2-5H,6-7H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1,3-thiazolidine-2-thione?
3-(2-methylphenyl)-1,3-thiazolidine-2-thione has a molecular weight of 209.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 21324754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).