(4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione

C11H13NS2 — CID 14968502

IUPAC(4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione
SMILESC[C@H]1[C@@H](c2ccccc2)SC(=S)N1C
InChIInChI=1S/C11H13NS2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m0/s1
InChIKeyUATVPLWAYYPNCO-WPRPVWTQSA-N
MW223.37 g/mol
LogP3.08
Rot. Bonds1

About (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione

(4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione (PubChem CID 14968502) has the molecular formula C11H13NS2 and a molecular weight of 223.37 g/mol. Its IUPAC name is (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione
PubChem CID14968502
Molecular FormulaC11H13NS2
Molecular Weight223.37 g/mol
Exact Mass223.05
IUPAC Name(4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione
SMILESC[C@H]1[C@@H](c2ccccc2)SC(=S)N1C
InChIInChI=1S/C11H13NS2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m0/s1
InChIKeyUATVPLWAYYPNCO-WPRPVWTQSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.08
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 (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione?
The IUPAC name of (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione (CID 14968502) is (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione?
The canonical SMILES for (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione is C[C@H]1[C@@H](c2ccccc2)SC(=S)N1C.
What is the InChIKey of (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione?
The InChIKey is UATVPLWAYYPNCO-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H13NS2/c1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9/h3-8,10H,1-2H3/t8-,10-/m0/s1.
What are the key properties of (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione?
(4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione has a molecular weight of 223.37 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3,4-dimethyl-5-phenyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 14968502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).