(4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione

C8H15NOS3 — CID 10014401

IUPAC(4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione
SMILESCC(C)(S)CN1C(=S)SC[C@H]1CO
InChIInChI=1S/C8H15NOS3/c1-8(2,12)5-9-6(3-10)4-13-7(9)11/h6,10,12H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyMAXGLLLFKRNXOD-ZCFIWIBFSA-N
MW237.41 g/mol
LogP1.39
Rot. Bonds3

About (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione

(4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione (PubChem CID 10014401) has the molecular formula C8H15NOS3 and a molecular weight of 237.41 g/mol. Its IUPAC name is (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione
PubChem CID10014401
Molecular FormulaC8H15NOS3
Molecular Weight237.41 g/mol
Exact Mass237.03
IUPAC Name(4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione
SMILESCC(C)(S)CN1C(=S)SC[C@H]1CO
InChIInChI=1S/C8H15NOS3/c1-8(2,12)5-9-6(3-10)4-13-7(9)11/h6,10,12H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyMAXGLLLFKRNXOD-ZCFIWIBFSA-N
XLogP1.39
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione?
The IUPAC name of (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione (CID 10014401) is (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione is CC(C)(S)CN1C(=S)SC[C@H]1CO.
What is the InChIKey of (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione?
The InChIKey is MAXGLLLFKRNXOD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15NOS3/c1-8(2,12)5-9-6(3-10)4-13-7(9)11/h6,10,12H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione?
(4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione has a molecular weight of 237.41 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 10014401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).