1-thiophen-2-ylsulfanylpropan-2-one

C7H8OS2 — CID 521033

IUPAC1-thiophen-2-ylsulfanylpropan-2-one
SMILESCC(=O)CSc1cccs1
InChIInChI=1S/C7H8OS2/c1-6(8)5-10-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKeyYZNDRLAITXPMSG-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.43
Rot. Bonds3

About 1-thiophen-2-ylsulfanylpropan-2-one

1-thiophen-2-ylsulfanylpropan-2-one (PubChem CID 521033) has the molecular formula C7H8OS2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfanylpropan-2-one.

Molecular Properties

Compound Name1-thiophen-2-ylsulfanylpropan-2-one
PubChem CID521033
Molecular FormulaC7H8OS2
Molecular Weight172.27 g/mol
Exact Mass172.00
IUPAC Name1-thiophen-2-ylsulfanylpropan-2-one
SMILESCC(=O)CSc1cccs1
InChIInChI=1S/C7H8OS2/c1-6(8)5-10-7-3-2-4-9-7/h2-4H,5H2,1H3
InChIKeyYZNDRLAITXPMSG-UHFFFAOYSA-N
XLogP2.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiophen-2-ylsulfanylmethyl)prop-2-enoic acid
CID 21268829
N-(1-hydroxypropan-2-yl)-2-thiophen-2-ylsulfanylacetamide
CID 43427808
(2S)-2-[(2-thiophen-2-ylsulfanylacetyl)amino]propanoic acid
CID 61131354
N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30897344
1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801859
N-(3-thiophen-2-ylsulfanylpropyl)acetamide
CID 58169495
(2R)-3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 79010943
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801933
4-methyl-4-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid
CID 62043511
4-[methyl-(2-thiophen-2-ylsulfanylacetyl)amino]butanoic acid
CID 43360065
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 3334524

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfanylpropan-2-one?
The IUPAC name of 1-thiophen-2-ylsulfanylpropan-2-one (CID 521033) is 1-thiophen-2-ylsulfanylpropan-2-one.
What is the SMILES notation for 1-thiophen-2-ylsulfanylpropan-2-one?
The canonical SMILES for 1-thiophen-2-ylsulfanylpropan-2-one is CC(=O)CSc1cccs1.
What is the InChIKey of 1-thiophen-2-ylsulfanylpropan-2-one?
The InChIKey is YZNDRLAITXPMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS2/c1-6(8)5-10-7-3-2-4-9-7/h2-4H,5H2,1H3.
What are the key properties of 1-thiophen-2-ylsulfanylpropan-2-one?
1-thiophen-2-ylsulfanylpropan-2-one has a molecular weight of 172.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfanylpropan-2-one is sourced from PubChem (CID 521033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).