2-thiophen-2-ylsulfanylpentan-3-one

C9H12OS2 — CID 64866095

IUPAC2-thiophen-2-ylsulfanylpentan-3-one
SMILESCCC(=O)C(C)Sc1cccs1
InChIInChI=1S/C9H12OS2/c1-3-8(10)7(2)12-9-5-4-6-11-9/h4-7H,3H2,1-2H3
InChIKeyJFHNHOCPIPFGND-UHFFFAOYSA-N
MW200.33 g/mol
LogP3.21
Rot. Bonds4

About 2-thiophen-2-ylsulfanylpentan-3-one

2-thiophen-2-ylsulfanylpentan-3-one (PubChem CID 64866095) has the molecular formula C9H12OS2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanylpentan-3-one.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanylpentan-3-one
PubChem CID64866095
Molecular FormulaC9H12OS2
Molecular Weight200.33 g/mol
Exact Mass200.03
IUPAC Name2-thiophen-2-ylsulfanylpentan-3-one
SMILESCCC(=O)C(C)Sc1cccs1
InChIInChI=1S/C9H12OS2/c1-3-8(10)7(2)12-9-5-4-6-11-9/h4-7H,3H2,1-2H3
InChIKeyJFHNHOCPIPFGND-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-butan-2-yl]sulfanylthiophene
CID 89122667
1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one
CID 43801868
ethyl 2-thiophen-2-ylsulfanylbutanoate
CID 64661658
S-thiophen-2-yl butanethioate
CID 87653443
ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate
CID 64712183
3-methyl-1-thiophen-2-ylhexane-1,4-dione
CID 14866583
N-methyl-2-thiophen-2-ylsulfanylpropan-1-amine
CID 62578598
1-thiophen-2-ylsulfanylpropan-2-one
CID 521033
2-(4-methoxyphenyl)sulfanylpentan-3-one
CID 60973114
N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43427808
(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
1-(2-thiophen-2-ylsulfanylpropyl)piperazine
CID 117035710

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanylpentan-3-one?
The IUPAC name of 2-thiophen-2-ylsulfanylpentan-3-one (CID 64866095) is 2-thiophen-2-ylsulfanylpentan-3-one.
What is the SMILES notation for 2-thiophen-2-ylsulfanylpentan-3-one?
The canonical SMILES for 2-thiophen-2-ylsulfanylpentan-3-one is CCC(=O)C(C)Sc1cccs1.
What is the InChIKey of 2-thiophen-2-ylsulfanylpentan-3-one?
The InChIKey is JFHNHOCPIPFGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS2/c1-3-8(10)7(2)12-9-5-4-6-11-9/h4-7H,3H2,1-2H3.
What are the key properties of 2-thiophen-2-ylsulfanylpentan-3-one?
2-thiophen-2-ylsulfanylpentan-3-one has a molecular weight of 200.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanylpentan-3-one is sourced from PubChem (CID 64866095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).