3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one

C7H13NOS2 — CID 131204503

IUPAC3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESCSCCC(=O)N1CCSC1
InChIInChI=1S/C7H13NOS2/c1-10-4-2-7(9)8-3-5-11-6-8/h2-6H2,1H3
InChIKeyYHKYWVMUDVAUQJ-UHFFFAOYSA-N
MW191.32 g/mol
LogP1.27
Rot. Bonds3

About 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one

3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 131204503) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID131204503
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESCSCCC(=O)N1CCSC1
InChIInChI=1S/C7H13NOS2/c1-10-4-2-7(9)8-3-5-11-6-8/h2-6H2,1H3
InChIKeyYHKYWVMUDVAUQJ-UHFFFAOYSA-N
XLogP1.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 131204503) is 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one is CSCCC(=O)N1CCSC1.
What is the InChIKey of 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is YHKYWVMUDVAUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-10-4-2-7(9)8-3-5-11-6-8/h2-6H2,1H3.
What are the key properties of 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 191.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 131204503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).