1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione

C7H13NOS2 — CID 20648623

IUPAC1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione
SMILESCCC(=S)N1CSCC1CO
InChIInChI=1S/C7H13NOS2/c1-2-7(10)8-5-11-4-6(8)3-9/h6,9H,2-5H2,1H3
InChIKeyPIYYCSZTSMNYEV-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.09
Rot. Bonds2

About 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione

1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione (PubChem CID 20648623) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione
PubChem CID20648623
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione
SMILESCCC(=S)N1CSCC1CO
InChIInChI=1S/C7H13NOS2/c1-2-7(10)8-5-11-4-6(8)3-9/h6,9H,2-5H2,1H3
InChIKeyPIYYCSZTSMNYEV-UHFFFAOYSA-N
XLogP1.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.09
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
(4R)-4-(hydroxymethyl)-3-(2-methyl-2-sulfanylpropyl)-1,3-thiazolidine-2-thione
CID 10014401
(3-Methyl-1,3-thiazolidin-4-yl)methanol
CID 13419603
4(R)-hydroxymethyl-3-methyl-1,3-thiazolidine
CID 13419604
[(4R)-3,3-dimethyl-1,3-thiazolidin-3-ium-4-yl]methanol
CID 15052250
(3,3-Dimethyl-1,3-thiazolidin-3-ium-4-yl)methanol
CID 19799085
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
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]-2-(methylamino)ethanethione
CID 20699061
(2,2,3-Trimethyl-1,3-thiazolidin-4-yl)methanol
CID 20699078
3-(3-Hydroxypropyl)-1,3-thiazolidine-2-thione
CID 21324770
4-(Hydroxymethyl)-3,4-dimethyl-1,3-thiazolidine-2-thione
CID 53815152

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione?
The IUPAC name of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione (CID 20648623) is 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione.
What is the SMILES notation for 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione?
The canonical SMILES for 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione is CCC(=S)N1CSCC1CO.
What is the InChIKey of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione?
The InChIKey is PIYYCSZTSMNYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-2-7(10)8-5-11-4-6(8)3-9/h6,9H,2-5H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione?
1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione has a molecular weight of 191.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-1,3-thiazolidin-3-yl]propane-1-thione is sourced from PubChem (CID 20648623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).