1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one

C10H13ClOS2 — CID 60884100

IUPAC1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
SMILESCC(C)SC(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClOS2/c1-6(2)13-7(3)10(12)8-4-5-9(11)14-8/h4-7H,1-3H3
InChIKeyOIIVFHVKYUZPCV-UHFFFAOYSA-N
MW248.80 g/mol
LogP4.11
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one

1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one (PubChem CID 60884100) has the molecular formula C10H13ClOS2 and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
PubChem CID60884100
Molecular FormulaC10H13ClOS2
Molecular Weight248.80 g/mol
Exact Mass248.01
IUPAC Name1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
SMILESCC(C)SC(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClOS2/c1-6(2)13-7(3)10(12)8-4-5-9(11)14-8/h4-7H,1-3H3
InChIKeyOIIVFHVKYUZPCV-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43802287
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide
CID 114234090
1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one
CID 61385071
1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-one
CID 62409000
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]amino]propanoic acid
CID 112513571
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
tert-butyl N-[(2S)-1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]carbamate
CID 165468162
2,3-dichloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 82117947
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43799779

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one (CID 60884100) is 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one is CC(C)SC(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one?
The InChIKey is OIIVFHVKYUZPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS2/c1-6(2)13-7(3)10(12)8-4-5-9(11)14-8/h4-7H,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one?
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one has a molecular weight of 248.80 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one is sourced from PubChem (CID 60884100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).