2-(1,3-thiazolidin-3-yl)ethanethiol

C5H11NS2 — CID 3458885

IUPAC2-(1,3-thiazolidin-3-yl)ethanethiol
SMILESSCCN1CCSC1
InChIInChI=1S/C5H11NS2/c7-3-1-6-2-4-8-5-6/h7H,1-5H2
InChIKeyQZSFSYKRUWBUHJ-UHFFFAOYSA-N
MW149.28 g/mol
LogP0.92
Rot. Bonds2

About 2-(1,3-thiazolidin-3-yl)ethanethiol

2-(1,3-thiazolidin-3-yl)ethanethiol (PubChem CID 3458885) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is 2-(1,3-thiazolidin-3-yl)ethanethiol.

Molecular Properties

Compound Name2-(1,3-thiazolidin-3-yl)ethanethiol
PubChem CID3458885
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Name2-(1,3-thiazolidin-3-yl)ethanethiol
SMILESSCCN1CCSC1
InChIInChI=1S/C5H11NS2/c7-3-1-6-2-4-8-5-6/h7H,1-5H2
InChIKeyQZSFSYKRUWBUHJ-UHFFFAOYSA-N
XLogP0.92
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Thiazolidine, 3-methyl-
CID 568508
3-Methyl-1,3-thiazolidine-2-thiol
CID 272715
3-Ethyl-1,3-thiazolidine-2-thione
CID 275652
3,3-Dimethyl-1,3-thiazolidin-3-ium
CID 13099584
3-Ethyl-1,3-thiazolidine
CID 15163846
1,3-Thiazolidine-3-carbodithioic acid
CID 15407655
1-(1,3-Thiazolidin-3-yl)ethanethiol
CID 17821131
2-(2,2-Dimethyl-1,3-thiazolidin-3-yl)ethanethiol
CID 17911275
3-Methyl-1,3-thiazolidine-2-carbothialdehyde
CID 20517889
(3-Methyl-1,3-thiazolidin-2-yl)methanethiol
CID 20699544
3-(2-Methylsulfanylethyl)-1,3-thiazolidine-2-thione
CID 21324803
2,3-Dimethyl-1,3-thiazolidine
CID 21740483

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazolidin-3-yl)ethanethiol?
The IUPAC name of 2-(1,3-thiazolidin-3-yl)ethanethiol (CID 3458885) is 2-(1,3-thiazolidin-3-yl)ethanethiol.
What is the SMILES notation for 2-(1,3-thiazolidin-3-yl)ethanethiol?
The canonical SMILES for 2-(1,3-thiazolidin-3-yl)ethanethiol is SCCN1CCSC1.
What is the InChIKey of 2-(1,3-thiazolidin-3-yl)ethanethiol?
The InChIKey is QZSFSYKRUWBUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2/c7-3-1-6-2-4-8-5-6/h7H,1-5H2.
What are the key properties of 2-(1,3-thiazolidin-3-yl)ethanethiol?
2-(1,3-thiazolidin-3-yl)ethanethiol has a molecular weight of 149.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidin-3-yl)ethanethiol is sourced from PubChem (CID 3458885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).