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

C10H19NS2 — CID 59223156

IUPAC(4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione
SMILESCC(C)[C@@H]1CSC(=S)N1C(C)(C)C
InChIInChI=1S/C10H19NS2/c1-7(2)8-6-13-9(12)11(8)10(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyWSIVIAQZNTYMHX-QMMMGPOBSA-N
MW217.40 g/mol
LogP3.14
Rot. Bonds1

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

(4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione (PubChem CID 59223156) has the molecular formula C10H19NS2 and a molecular weight of 217.40 g/mol. Its IUPAC name is (4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione
PubChem CID59223156
Molecular FormulaC10H19NS2
Molecular Weight217.40 g/mol
Exact Mass217.10
IUPAC Name(4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione
SMILESCC(C)[C@@H]1CSC(=S)N1C(C)(C)C
InChIInChI=1S/C10H19NS2/c1-7(2)8-6-13-9(12)11(8)10(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1
InChIKeyWSIVIAQZNTYMHX-QMMMGPOBSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.14
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 (4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione?
The IUPAC name of (4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione (CID 59223156) is (4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione?
The canonical SMILES for (4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione is CC(C)[C@@H]1CSC(=S)N1C(C)(C)C.
What is the InChIKey of (4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione?
The InChIKey is WSIVIAQZNTYMHX-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NS2/c1-7(2)8-6-13-9(12)11(8)10(3,4)5/h7-8H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione?
(4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione has a molecular weight of 217.40 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-tert-butyl-4-propan-2-yl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 59223156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).