4-hydroxy-3-propyl-1,3-thiazolidine-2-thione

C6H11NOS2 — CID 122379575

IUPAC4-hydroxy-3-propyl-1,3-thiazolidine-2-thione
SMILESCCCN1C(=S)SCC1O
InChIInChI=1S/C6H11NOS2/c1-2-3-7-5(8)4-10-6(7)9/h5,8H,2-4H2,1H3
InChIKeyWUSVCIXQHXFQAN-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.05
Rot. Bonds2

About 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione

4-hydroxy-3-propyl-1,3-thiazolidine-2-thione (PubChem CID 122379575) has the molecular formula C6H11NOS2 and a molecular weight of 177.29 g/mol. Its IUPAC name is 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-propyl-1,3-thiazolidine-2-thione
PubChem CID122379575
Molecular FormulaC6H11NOS2
Molecular Weight177.29 g/mol
Exact Mass177.03
IUPAC Name4-hydroxy-3-propyl-1,3-thiazolidine-2-thione
SMILESCCCN1C(=S)SCC1O
InChIInChI=1S/C6H11NOS2/c1-2-3-7-5(8)4-10-6(7)9/h5,8H,2-4H2,1H3
InChIKeyWUSVCIXQHXFQAN-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.05
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

3-(2-Hydroxyethyl)-1,3-thiazolidine-2-thione
CID 232324
2-Hydroxyethyl diethylcarbamodithioate
CID 220691
Hydroxyethyldibutyldithiocarbamate
CID 162787581
3,5,5-Trimethyl-4-hydroxy-thiazolidine-2-thione
CID 13573933
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione
CID 20648599
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione
CID 20648623
(5-Methyl-1,3-thiazolidin-3-yl)methanol
CID 20691963
3-(3-Methoxypropyl)-1,3-thiazolidine-2-thione
CID 21324742
3-(3-Hydroxypropyl)-1,3-thiazolidine-2-thione
CID 21324770
3-(1,3-Thiazolidin-3-yl)propan-1-ol
CID 45088138
2-Hydroxyethyl pyrrolidine-1-carbodithioate
CID 71677633
3-(1-Hydroxypropyl)-1,3-thiazolidine-2-thione
CID 88738214

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione (CID 122379575) is 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione is CCCN1C(=S)SCC1O.
What is the InChIKey of 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione?
The InChIKey is WUSVCIXQHXFQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS2/c1-2-3-7-5(8)4-10-6(7)9/h5,8H,2-4H2,1H3.
What are the key properties of 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione?
4-hydroxy-3-propyl-1,3-thiazolidine-2-thione has a molecular weight of 177.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 122379575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).