(4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione

C9H17NS2 — CID 129105778

IUPAC(4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione
SMILESCC(C)[C@@H]1CSC(=S)N1C(C)C
InChIInChI=1S/C9H17NS2/c1-6(2)8-5-12-9(11)10(8)7(3)4/h6-8H,5H2,1-4H3/t8-/m0/s1
InChIKeyRLGHIMQYUHDOOL-QMMMGPOBSA-N
MW203.38 g/mol
LogP2.75
Rot. Bonds2

About (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione

(4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione (PubChem CID 129105778) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione
PubChem CID129105778
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name(4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione
SMILESCC(C)[C@@H]1CSC(=S)N1C(C)C
InChIInChI=1S/C9H17NS2/c1-6(2)8-5-12-9(11)10(8)7(3)4/h6-8H,5H2,1-4H3/t8-/m0/s1
InChIKeyRLGHIMQYUHDOOL-QMMMGPOBSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione?
The IUPAC name of (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione (CID 129105778) is (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione?
The canonical SMILES for (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione is CC(C)[C@@H]1CSC(=S)N1C(C)C.
What is the InChIKey of (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione?
The InChIKey is RLGHIMQYUHDOOL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NS2/c1-6(2)8-5-12-9(11)10(8)7(3)4/h6-8H,5H2,1-4H3/t8-/m0/s1.
What are the key properties of (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione?
(4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione has a molecular weight of 203.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4-di(propan-2-yl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 129105778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).