(3-methyl-1,3-thiazolidin-2-yl)methanethiol

C5H11NS2 — CID 20699544

IUPAC(3-methyl-1,3-thiazolidin-2-yl)methanethiol
SMILESCN1CCSC1CS
InChIInChI=1S/C5H11NS2/c1-6-2-3-8-5(6)4-7/h5,7H,2-4H2,1H3
InChIKeyUOLZZRNWGVLIHI-UHFFFAOYSA-N
MW149.28 g/mol
LogP0.92
Rot. Bonds1

About (3-methyl-1,3-thiazolidin-2-yl)methanethiol

(3-methyl-1,3-thiazolidin-2-yl)methanethiol (PubChem CID 20699544) has the molecular formula C5H11NS2 and a molecular weight of 149.28 g/mol. Its IUPAC name is (3-methyl-1,3-thiazolidin-2-yl)methanethiol.

Molecular Properties

Compound Name(3-methyl-1,3-thiazolidin-2-yl)methanethiol
PubChem CID20699544
Molecular FormulaC5H11NS2
Molecular Weight149.28 g/mol
Exact Mass149.03
IUPAC Name(3-methyl-1,3-thiazolidin-2-yl)methanethiol
SMILESCN1CCSC1CS
InChIInChI=1S/C5H11NS2/c1-6-2-3-8-5(6)4-7/h5,7H,2-4H2,1H3
InChIKeyUOLZZRNWGVLIHI-UHFFFAOYSA-N
XLogP0.92
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,3-thiazolidin-2-yl)methanethiol?
The IUPAC name of (3-methyl-1,3-thiazolidin-2-yl)methanethiol (CID 20699544) is (3-methyl-1,3-thiazolidin-2-yl)methanethiol.
What is the SMILES notation for (3-methyl-1,3-thiazolidin-2-yl)methanethiol?
The canonical SMILES for (3-methyl-1,3-thiazolidin-2-yl)methanethiol is CN1CCSC1CS.
What is the InChIKey of (3-methyl-1,3-thiazolidin-2-yl)methanethiol?
The InChIKey is UOLZZRNWGVLIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2/c1-6-2-3-8-5(6)4-7/h5,7H,2-4H2,1H3.
What are the key properties of (3-methyl-1,3-thiazolidin-2-yl)methanethiol?
(3-methyl-1,3-thiazolidin-2-yl)methanethiol has a molecular weight of 149.28 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,3-thiazolidin-2-yl)methanethiol is sourced from PubChem (CID 20699544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).