2,3-dihydro-1,3-thiazol-3-ium

C3H6NS+ — CID 18533222

IUPAC2,3-dihydro-1,3-thiazol-3-ium
SMILESC1=CSC[NH2+]1
InChIInChI=1S/C3H5NS/c1-2-5-3-4-1/h1-2,4H,3H2/p+1
InChIKeyOYJGEOAXBALSMM-UHFFFAOYSA-O
MW88.15 g/mol
LogP-0.27
Rot. Bonds

About 2,3-dihydro-1,3-thiazol-3-ium

2,3-dihydro-1,3-thiazol-3-ium (PubChem CID 18533222) has the molecular formula C3H6NS+ and a molecular weight of 88.15 g/mol. Its IUPAC name is 2,3-dihydro-1,3-thiazol-3-ium.

Molecular Properties

Compound Name2,3-dihydro-1,3-thiazol-3-ium
PubChem CID18533222
Molecular FormulaC3H6NS+
Molecular Weight88.15 g/mol
Exact Mass88.02
IUPAC Name2,3-dihydro-1,3-thiazol-3-ium
SMILESC1=CSC[NH2+]1
InChIInChI=1S/C3H5NS/c1-2-5-3-4-1/h1-2,4H,3H2/p+1
InChIKeyOYJGEOAXBALSMM-UHFFFAOYSA-O
XLogP-0.27
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-thiazol-3-ium?
The IUPAC name of 2,3-dihydro-1,3-thiazol-3-ium (CID 18533222) is 2,3-dihydro-1,3-thiazol-3-ium.
What is the SMILES notation for 2,3-dihydro-1,3-thiazol-3-ium?
The canonical SMILES for 2,3-dihydro-1,3-thiazol-3-ium is C1=CSC[NH2+]1.
What is the InChIKey of 2,3-dihydro-1,3-thiazol-3-ium?
The InChIKey is OYJGEOAXBALSMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5NS/c1-2-5-3-4-1/h1-2,4H,3H2/p+1.
What are the key properties of 2,3-dihydro-1,3-thiazol-3-ium?
2,3-dihydro-1,3-thiazol-3-ium has a molecular weight of 88.15 g/mol, XLogP of -0.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-thiazol-3-ium is sourced from PubChem (CID 18533222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).