1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one

C6H9NOS2 — CID 70314939

IUPAC1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one
SMILESCC(=O)CSC1=NCCS1
InChIInChI=1S/C6H9NOS2/c1-5(8)4-10-6-7-2-3-9-6/h2-4H2,1H3
InChIKeyCDHRXLYYGYBZBM-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.41
Rot. Bonds2

About 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one

1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one (PubChem CID 70314939) has the molecular formula C6H9NOS2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one
PubChem CID70314939
Molecular FormulaC6H9NOS2
Molecular Weight175.28 g/mol
Exact Mass175.01
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one
SMILESCC(=O)CSC1=NCCS1
InChIInChI=1S/C6H9NOS2/c1-5(8)4-10-6-7-2-3-9-6/h2-4H2,1H3
InChIKeyCDHRXLYYGYBZBM-UHFFFAOYSA-N
XLogP1.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one (CID 70314939) is 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one is CC(=O)CSC1=NCCS1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one?
The InChIKey is CDHRXLYYGYBZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS2/c1-5(8)4-10-6-7-2-3-9-6/h2-4H2,1H3.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one?
1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one has a molecular weight of 175.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-2-one is sourced from PubChem (CID 70314939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).