1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol

C6H12ClNO3S — CID 112560169

IUPAC1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
SMILESO=S1(=O)CCCN1CC(O)CCl
InChIInChI=1S/C6H12ClNO3S/c7-4-6(9)5-8-2-1-3-12(8,10)11/h6,9H,1-5H2
InChIKeyRZCFVFFKPAMPCC-UHFFFAOYSA-N
MW213.69 g/mol
LogP-0.38
Rot. Bonds3

About 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol

1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol (PubChem CID 112560169) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
PubChem CID112560169
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol
SMILESO=S1(=O)CCCN1CC(O)CCl
InChIInChI=1S/C6H12ClNO3S/c7-4-6(9)5-8-2-1-3-12(8,10)11/h6,9H,1-5H2
InChIKeyRZCFVFFKPAMPCC-UHFFFAOYSA-N
XLogP-0.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The IUPAC name of 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol (CID 112560169) is 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The canonical SMILES for 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol is O=S1(=O)CCCN1CC(O)CCl.
What is the InChIKey of 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
The InChIKey is RZCFVFFKPAMPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c7-4-6(9)5-8-2-1-3-12(8,10)11/h6,9H,1-5H2.
What are the key properties of 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol?
1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol has a molecular weight of 213.69 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-ol is sourced from PubChem (CID 112560169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).