3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione

C7H13NOS2 — CID 130123972

IUPAC3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione
SMILESCC(C)(C)N1C(=S)SCC1O
InChIInChI=1S/C7H13NOS2/c1-7(2,3)8-5(9)4-11-6(8)10/h5,9H,4H2,1-3H3
InChIKeyRPPKYVZXIQPYBF-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.44
Rot. Bonds

About 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione

3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione (PubChem CID 130123972) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione
PubChem CID130123972
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione
SMILESCC(C)(C)N1C(=S)SCC1O
InChIInChI=1S/C7H13NOS2/c1-7(2,3)8-5(9)4-11-6(8)10/h5,9H,4H2,1-3H3
InChIKeyRPPKYVZXIQPYBF-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Hydroxymethyl)-4,4-dimethyl-1,3-thiazolidin-3-yl]propane-1-thione
CID 20648596
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione
CID 20648599
4-(Hydroxymethyl)-3,4-dimethyl-1,3-thiazolidine-2-thione
CID 53815152
2-Hydroxyethyl pyrrolidine-1-carbodithioate
CID 71677633
3-(1-Hydroxypropyl)-1,3-thiazolidine-2-thione
CID 88738214
3-(1-Hydroxyethyl)-1,3-thiazolidine-2-thione
CID 88741845
4-Hydroxy-3-methyl-1,3-thiazolidine-2-thione
CID 130122041
4-Hydroxy-5,5-dimethyl-3-propan-2-yl-1,3-thiazolidine-2-thione
CID 13573935
3-Ethyl-4-hydroxy-1,3-thiazolidine-2-thione
CID 122379572
4-Hydroxy-3-propyl-1,3-thiazolidine-2-thione
CID 122379575

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione?
The IUPAC name of 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione (CID 130123972) is 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione is CC(C)(C)N1C(=S)SCC1O.
What is the InChIKey of 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione?
The InChIKey is RPPKYVZXIQPYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-7(2,3)8-5(9)4-11-6(8)10/h5,9H,4H2,1-3H3.
What are the key properties of 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione?
3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione has a molecular weight of 191.32 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-hydroxy-1,3-thiazolidine-2-thione is sourced from PubChem (CID 130123972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).