2-ethylthiolan-3-one

C6H10OS — CID 530401

IUPAC2-ethylthiolan-3-one
SMILESCCC1SCCC1=O
InChIInChI=1S/C6H10OS/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3
InChIKeyKNYBAJCQHFBMOP-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.47
Rot. Bonds1

About 2-ethylthiolan-3-one

2-ethylthiolan-3-one (PubChem CID 530401) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-ethylthiolan-3-one.

Molecular Properties

Compound Name2-ethylthiolan-3-one
PubChem CID530401
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2-ethylthiolan-3-one
SMILESCCC1SCCC1=O
InChIInChI=1S/C6H10OS/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3
InChIKeyKNYBAJCQHFBMOP-UHFFFAOYSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydro-2-methyl-3(2H)-thiophenone
CID 61664
4-(Methylthio)-2-pentanone
CID 6428938
Dihydro-5-methyl-2(3H)-thiophenone
CID 530400
5-Methylthiolan-3-one
CID 526949
6-Methylthian-3-one
CID 529768
5-(Methylsulfanyl)pentan-2-one
CID 15733859
5-(Propan-2-yl)thiolan-3-one
CID 588909
2,6-Dimethyltetrahydro-4H-thiopyran-4-one
CID 13781794
(2R,6S)-2,6-dimethylthian-4-one
CID 13781795
5,5-Dimethylthiolan-3-one
CID 22982778
1-Ethylsulfanylpentan-3-one
CID 12530330
3-Ethylsulfanylpentan-2-one
CID 15473444

Frequently Asked Questions

What is the IUPAC name of 2-ethylthiolan-3-one?
The IUPAC name of 2-ethylthiolan-3-one (CID 530401) is 2-ethylthiolan-3-one.
What is the SMILES notation for 2-ethylthiolan-3-one?
The canonical SMILES for 2-ethylthiolan-3-one is CCC1SCCC1=O.
What is the InChIKey of 2-ethylthiolan-3-one?
The InChIKey is KNYBAJCQHFBMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-6-5(7)3-4-8-6/h6H,2-4H2,1H3.
What are the key properties of 2-ethylthiolan-3-one?
2-ethylthiolan-3-one has a molecular weight of 130.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiolan-3-one is sourced from PubChem (CID 530401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).