3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol

C6H13NOS2 — CID 54361822

IUPAC3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol
SMILESOCCCSN1CCSC1
InChIInChI=1S/C6H13NOS2/c8-3-1-4-10-7-2-5-9-6-7/h8H,1-6H2
InChIKeyNAXFIJRYDYZMJB-UHFFFAOYSA-N
MW179.31 g/mol
LogP1.02
Rot. Bonds4

About 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol

3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol (PubChem CID 54361822) has the molecular formula C6H13NOS2 and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol
PubChem CID54361822
Molecular FormulaC6H13NOS2
Molecular Weight179.31 g/mol
Exact Mass179.04
IUPAC Name3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol
SMILESOCCCSN1CCSC1
InChIInChI=1S/C6H13NOS2/c8-3-1-4-10-7-2-5-9-6-7/h8H,1-6H2
InChIKeyNAXFIJRYDYZMJB-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol?
The IUPAC name of 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol (CID 54361822) is 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol is OCCCSN1CCSC1.
What is the InChIKey of 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol?
The InChIKey is NAXFIJRYDYZMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS2/c8-3-1-4-10-7-2-5-9-6-7/h8H,1-6H2.
What are the key properties of 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol?
3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol has a molecular weight of 179.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazolidin-3-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 54361822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).