(4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione

C10H19NOS2 — CID 155782215

IUPAC(4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione
SMILESCC[C@H](O)N1C(=S)SC[C@@H]1C(C)(C)C
InChIInChI=1S/C10H19NOS2/c1-5-8(12)11-7(10(2,3)4)6-14-9(11)13/h7-8,12H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyKDQNKOBTLINOGR-SFYZADRCSA-N
MW233.40 g/mol
LogP2.46
Rot. Bonds2

About (4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione

(4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione (PubChem CID 155782215) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione
PubChem CID155782215
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC Name(4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione
SMILESCC[C@H](O)N1C(=S)SC[C@@H]1C(C)(C)C
InChIInChI=1S/C10H19NOS2/c1-5-8(12)11-7(10(2,3)4)6-14-9(11)13/h7-8,12H,5-6H2,1-4H3/t7-,8+/m1/s1
InChIKeyKDQNKOBTLINOGR-SFYZADRCSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione?
The IUPAC name of (4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione (CID 155782215) is (4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione.
What is the SMILES notation for (4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione?
The canonical SMILES for (4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione is CC[C@H](O)N1C(=S)SC[C@@H]1C(C)(C)C.
What is the InChIKey of (4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione?
The InChIKey is KDQNKOBTLINOGR-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19NOS2/c1-5-8(12)11-7(10(2,3)4)6-14-9(11)13/h7-8,12H,5-6H2,1-4H3/t7-,8+/m1/s1.
What are the key properties of (4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione?
(4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione has a molecular weight of 233.40 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-3-[(1S)-1-hydroxypropyl]-1,3-thiazolidine-2-thione is sourced from PubChem (CID 155782215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).