3,4,4-trimethyl-1,3-thiazolidine-2-thione

C6H11NS2 — CID 10534992

IUPAC3,4,4-trimethyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SCC1(C)C
InChIInChI=1S/C6H11NS2/c1-6(2)4-9-5(8)7(6)3/h4H2,1-3H3
InChIKeyMBLNVHZWFPBLFH-UHFFFAOYSA-N
MW161.29 g/mol
LogP1.73
Rot. Bonds

About 3,4,4-trimethyl-1,3-thiazolidine-2-thione

3,4,4-trimethyl-1,3-thiazolidine-2-thione (PubChem CID 10534992) has the molecular formula C6H11NS2 and a molecular weight of 161.29 g/mol. Its IUPAC name is 3,4,4-trimethyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3,4,4-trimethyl-1,3-thiazolidine-2-thione
PubChem CID10534992
Molecular FormulaC6H11NS2
Molecular Weight161.29 g/mol
Exact Mass161.03
IUPAC Name3,4,4-trimethyl-1,3-thiazolidine-2-thione
SMILESCN1C(=S)SCC1(C)C
InChIInChI=1S/C6H11NS2/c1-6(2)4-9-5(8)7(6)3/h4H2,1-3H3
InChIKeyMBLNVHZWFPBLFH-UHFFFAOYSA-N
XLogP1.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.29
LogP ≤ 51.73
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 3,4,4-trimethyl-1,3-thiazolidine-2-thione?
The IUPAC name of 3,4,4-trimethyl-1,3-thiazolidine-2-thione (CID 10534992) is 3,4,4-trimethyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3,4,4-trimethyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 3,4,4-trimethyl-1,3-thiazolidine-2-thione is CN1C(=S)SCC1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1,3-thiazolidine-2-thione?
The InChIKey is MBLNVHZWFPBLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS2/c1-6(2)4-9-5(8)7(6)3/h4H2,1-3H3.
What are the key properties of 3,4,4-trimethyl-1,3-thiazolidine-2-thione?
3,4,4-trimethyl-1,3-thiazolidine-2-thione has a molecular weight of 161.29 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 10534992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).