2-ethylsulfanyl-1-phenylethanone

C10H12OS — CID 2776060

IUPAC2-ethylsulfanyl-1-phenylethanone
SMILESCCSCC(=O)c1ccccc1
InChIInChI=1S/C10H12OS/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyOGASNHSCMVVLCJ-UHFFFAOYSA-N
MW180.27 g/mol
LogP2.62
Rot. Bonds4

About 2-ethylsulfanyl-1-phenylethanone

2-ethylsulfanyl-1-phenylethanone (PubChem CID 2776060) has the molecular formula C10H12OS and a molecular weight of 180.27 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-phenylethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-phenylethanone
PubChem CID2776060
Molecular FormulaC10H12OS
Molecular Weight180.27 g/mol
Exact Mass180.06
IUPAC Name2-ethylsulfanyl-1-phenylethanone
SMILESCCSCC(=O)c1ccccc1
InChIInChI=1S/C10H12OS/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyOGASNHSCMVVLCJ-UHFFFAOYSA-N
XLogP2.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenacylsulfanylacetyl) 2-phenacylsulfanylacetate
CID 71371728
2-[2-(dimethylamino)ethylsulfanyl]-1-phenylethanone
CID 59233390
1-phenyl(111C)propan-1-one
CID 11159350
2-[3-(diethylamino)propylsulfanyl]-1-phenylethanone
CID 59233394
2-pentylsulfanyl-1-(4-phenylphenyl)ethanone
CID 129028325
2-[ethyl-(2-phenacylsulfanylacetyl)amino]acetic acid
CID 119206349
methane;1-phenylpropan-1-one
CID 67638055
1-phenylpropan-1-one;zirconium
CID 173295106
2-ethylsulfanyl-1-(4-hexylphenyl)ethanone
CID 82050314
1-(4-cyclobutylphenyl)-2-ethylsulfanylethanone
CID 116505606
1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519
2-phenacylsulfanyl-N-phenylacetamide
CID 569693

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-phenylethanone?
The IUPAC name of 2-ethylsulfanyl-1-phenylethanone (CID 2776060) is 2-ethylsulfanyl-1-phenylethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-phenylethanone?
The canonical SMILES for 2-ethylsulfanyl-1-phenylethanone is CCSCC(=O)c1ccccc1.
What is the InChIKey of 2-ethylsulfanyl-1-phenylethanone?
The InChIKey is OGASNHSCMVVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12OS/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-ethylsulfanyl-1-phenylethanone?
2-ethylsulfanyl-1-phenylethanone has a molecular weight of 180.27 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-phenylethanone is sourced from PubChem (CID 2776060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).