1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one

C6H7NO2S2 — CID 91483994

IUPAC1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one
SMILESCC(=O)Cn1c(O)csc1=S
InChIInChI=1S/C6H7NO2S2/c1-4(8)2-7-5(9)3-11-6(7)10/h3,9H,2H2,1H3
InChIKeyBZAMHLANRXYARY-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one

1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one (PubChem CID 91483994) has the molecular formula C6H7NO2S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one
PubChem CID91483994
Molecular FormulaC6H7NO2S2
Molecular Weight189.26 g/mol
Exact Mass188.99
IUPAC Name1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one
SMILESCC(=O)Cn1c(O)csc1=S
InChIInChI=1S/C6H7NO2S2/c1-4(8)2-7-5(9)3-11-6(7)10/h3,9H,2H2,1H3
InChIKeyBZAMHLANRXYARY-UHFFFAOYSA-N
XLogP1.57
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Hydroxy-3-(2-oxopropyl)-1,3-thiazol-2-one
CID 54434240

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one?
The IUPAC name of 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one (CID 91483994) is 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one?
The canonical SMILES for 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one is CC(=O)Cn1c(O)csc1=S.
What is the InChIKey of 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one?
The InChIKey is BZAMHLANRXYARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S2/c1-4(8)2-7-5(9)3-11-6(7)10/h3,9H,2H2,1H3.
What are the key properties of 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one?
1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)propan-2-one is sourced from PubChem (CID 91483994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).