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

C11H14N2OS2 — CID 95988125

IUPAC(4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione
SMILESCC1(C)SC(=S)N(c2ccccc2)[C@@H]1NO
InChIInChI=1S/C11H14N2OS2/c1-11(2)9(12-14)13(10(15)16-11)8-6-4-3-5-7-8/h3-7,9,12,14H,1-2H3/t9-/m0/s1
InChIKeyKSBNCMSMDJAXBC-VIFPVBQESA-N
MW254.38 g/mol
LogP2.61
Rot. Bonds2

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

(4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione (PubChem CID 95988125) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione
PubChem CID95988125
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name(4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione
SMILESCC1(C)SC(=S)N(c2ccccc2)[C@@H]1NO
InChIInChI=1S/C11H14N2OS2/c1-11(2)9(12-14)13(10(15)16-11)8-6-4-3-5-7-8/h3-7,9,12,14H,1-2H3/t9-/m0/s1
InChIKeyKSBNCMSMDJAXBC-VIFPVBQESA-N
XLogP2.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione?
The IUPAC name of (4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione (CID 95988125) is (4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione?
The canonical SMILES for (4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione is CC1(C)SC(=S)N(c2ccccc2)[C@@H]1NO.
What is the InChIKey of (4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione?
The InChIKey is KSBNCMSMDJAXBC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-11(2)9(12-14)13(10(15)16-11)8-6-4-3-5-7-8/h3-7,9,12,14H,1-2H3/t9-/m0/s1.
What are the key properties of (4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione?
(4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione has a molecular weight of 254.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(hydroxyamino)-5,5-dimethyl-3-phenyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 95988125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).