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

C14H13ClO2S2 — CID 64640149

IUPAC1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one
SMILESCc1ccccc1S(=O)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClO2S2/c1-9-5-3-4-6-12(9)19(17)10(2)14(16)11-7-8-13(15)18-11/h3-8,10H,1-2H3
InChIKeyOZVNXZPMBZCDCZ-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.09
Rot. Bonds4

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

1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one (PubChem CID 64640149) has the molecular formula C14H13ClO2S2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one
PubChem CID64640149
Molecular FormulaC14H13ClO2S2
Molecular Weight312.84 g/mol
Exact Mass312.00
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one
SMILESCc1ccccc1S(=O)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClO2S2/c1-9-5-3-4-6-12(9)19(17)10(2)14(16)11-7-8-13(15)18-11/h3-8,10H,1-2H3
InChIKeyOZVNXZPMBZCDCZ-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-(3-methylphenyl)sulfinylpropan-1-one
CID 64639770
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
CID 43794159
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43799802
5-chloro-N-[1-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 47097917
1-(3,4-difluorophenyl)-2-(2-methylphenyl)sulfinylpropan-1-one
CID 64638736
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)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
2-(5-chlorothiophen-2-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 94288949
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
2-(4-bromo-3,5-dimethylphenoxy)-1-(5-chlorothiophen-2-yl)propan-1-one
CID 107725139

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one (CID 64640149) is 1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one is Cc1ccccc1S(=O)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one?
The InChIKey is OZVNXZPMBZCDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S2/c1-9-5-3-4-6-12(9)19(17)10(2)14(16)11-7-8-13(15)18-11/h3-8,10H,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one?
1-(5-chlorothiophen-2-yl)-2-(2-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-(2-methylphenyl)sulfinylpropan-1-one is sourced from PubChem (CID 64640149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).