1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one

C8H11NOS2 — CID 79824556

IUPAC1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCCSCC(=O)Cc1nccs1
InChIInChI=1S/C8H11NOS2/c1-2-11-6-7(10)5-8-9-3-4-12-8/h3-4H,2,5-6H2,1H3
InChIKeyRTHQMPGHIXLOKO-UHFFFAOYSA-N
MW201.32 g/mol
LogP2.01
Rot. Bonds5

About 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one

1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 79824556) has the molecular formula C8H11NOS2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID79824556
Molecular FormulaC8H11NOS2
Molecular Weight201.32 g/mol
Exact Mass201.03
IUPAC Name1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one
SMILESCCSCC(=O)Cc1nccs1
InChIInChI=1S/C8H11NOS2/c1-2-11-6-7(10)5-8-9-3-4-12-8/h3-4H,2,5-6H2,1H3
InChIKeyRTHQMPGHIXLOKO-UHFFFAOYSA-N
XLogP2.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one (CID 79824556) is 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one is CCSCC(=O)Cc1nccs1.
What is the InChIKey of 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is RTHQMPGHIXLOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS2/c1-2-11-6-7(10)5-8-9-3-4-12-8/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one?
1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 201.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 79824556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).