1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one

C14H13ClO2S2 — CID 64639770

IUPAC1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one
SMILESCc1cccc(S(=O)C(C)C(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H13ClO2S2/c1-9-4-3-5-11(8-9)19(17)10(2)14(16)12-6-7-13(15)18-12/h3-8,10H,1-2H3
InChIKeyJPPQNDVZVMYGEH-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.09
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one

1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one (PubChem CID 64639770) has the molecular formula C14H13ClO2S2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one
PubChem CID64639770
Molecular FormulaC14H13ClO2S2
Molecular Weight312.84 g/mol
Exact Mass312.00
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one
SMILESCc1cccc(S(=O)C(C)C(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H13ClO2S2/c1-9-4-3-5-11(8-9)19(17)10(2)14(16)12-6-7-13(15)18-12/h3-8,10H,1-2H3
InChIKeyJPPQNDVZVMYGEH-UHFFFAOYSA-N
XLogP4.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one
CID 64640149
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
[1-(3-methylanilino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 42981071
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43799802
2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43802287
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfonylethanone
CID 64635830
1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone
CID 115478142
2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 64644115
1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-one
CID 62409000
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 107725139
1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
CID 62050574

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one (CID 64639770) is 1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one is Cc1cccc(S(=O)C(C)C(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one?
The InChIKey is JPPQNDVZVMYGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S2/c1-9-4-3-5-11(8-9)19(17)10(2)14(16)12-6-7-13(15)18-12/h3-8,10H,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one?
1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one has a molecular weight of 312.84 g/mol, XLogP of 4.09, 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-(3-methylphenyl)sulfinylpropan-1-one is sourced from PubChem (CID 64639770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).