3-(hydroxymethyl)-1,3-thiazolidine-2-thione

C4H7NOS2 — CID 11252098

IUPAC3-(hydroxymethyl)-1,3-thiazolidine-2-thione
SMILESOCN1CCSC1=S
InChIInChI=1S/C4H7NOS2/c6-3-5-1-2-8-4(5)7/h6H,1-3H2
InChIKeyRIVFERQQRLRDSY-UHFFFAOYSA-N
MW149.24 g/mol
LogP0.27
Rot. Bonds1

About 3-(hydroxymethyl)-1,3-thiazolidine-2-thione

3-(hydroxymethyl)-1,3-thiazolidine-2-thione (PubChem CID 11252098) has the molecular formula C4H7NOS2 and a molecular weight of 149.24 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,3-thiazolidine-2-thione
PubChem CID11252098
Molecular FormulaC4H7NOS2
Molecular Weight149.24 g/mol
Exact Mass149.00
IUPAC Name3-(hydroxymethyl)-1,3-thiazolidine-2-thione
SMILESOCN1CCSC1=S
InChIInChI=1S/C4H7NOS2/c6-3-5-1-2-8-4(5)7/h6H,1-3H2
InChIKeyRIVFERQQRLRDSY-UHFFFAOYSA-N
XLogP0.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 50.27
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 3-(hydroxymethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(hydroxymethyl)-1,3-thiazolidine-2-thione (CID 11252098) is 3-(hydroxymethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(hydroxymethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(hydroxymethyl)-1,3-thiazolidine-2-thione is OCN1CCSC1=S.
What is the InChIKey of 3-(hydroxymethyl)-1,3-thiazolidine-2-thione?
The InChIKey is RIVFERQQRLRDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NOS2/c6-3-5-1-2-8-4(5)7/h6H,1-3H2.
What are the key properties of 3-(hydroxymethyl)-1,3-thiazolidine-2-thione?
3-(hydroxymethyl)-1,3-thiazolidine-2-thione has a molecular weight of 149.24 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 11252098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).