propan-2-yl 2-(3-chlorophenyl)sulfinylacetate

C11H13ClO3S — CID 62647010

IUPACpropan-2-yl 2-(3-chlorophenyl)sulfinylacetate
SMILESCC(C)OC(=O)CS(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3S/c1-8(2)15-11(13)7-16(14)10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3
InChIKeyNVVCLUDESRBMQX-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.40
Rot. Bonds4

About propan-2-yl 2-(3-chlorophenyl)sulfinylacetate

propan-2-yl 2-(3-chlorophenyl)sulfinylacetate (PubChem CID 62647010) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is propan-2-yl 2-(3-chlorophenyl)sulfinylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3-chlorophenyl)sulfinylacetate
PubChem CID62647010
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Namepropan-2-yl 2-(3-chlorophenyl)sulfinylacetate
SMILESCC(C)OC(=O)CS(=O)c1cccc(Cl)c1
InChIInChI=1S/C11H13ClO3S/c1-8(2)15-11(13)7-16(14)10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3
InChIKeyNVVCLUDESRBMQX-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
ethyl 3-(3-chlorophenyl)sulfinylpropanoate
CID 62645969
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637762
3-(3-chlorophenyl)sulfinyl-2,2-dimethylpropanoic acid
CID 79620487
2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone
CID 64636056
N-(2-chlorophenyl)-2-[(S)-(3-chlorophenyl)sulfinyl]acetamide
CID 40520627
methyl 3-(3-chlorophenyl)sulfinyl-2,2-dimethylpropanoate
CID 79620486
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
2-(3-chlorophenyl)sulfinyl-N-(4-fluorophenyl)acetamide
CID 71283134
N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
CID 62646858
2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide
CID 71283350
2-(3-bromophenyl)sulfinyl-1-(3-chlorophenyl)ethanone
CID 64636245

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3-chlorophenyl)sulfinylacetate?
The IUPAC name of propan-2-yl 2-(3-chlorophenyl)sulfinylacetate (CID 62647010) is propan-2-yl 2-(3-chlorophenyl)sulfinylacetate.
What is the SMILES notation for propan-2-yl 2-(3-chlorophenyl)sulfinylacetate?
The canonical SMILES for propan-2-yl 2-(3-chlorophenyl)sulfinylacetate is CC(C)OC(=O)CS(=O)c1cccc(Cl)c1.
What is the InChIKey of propan-2-yl 2-(3-chlorophenyl)sulfinylacetate?
The InChIKey is NVVCLUDESRBMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c1-8(2)15-11(13)7-16(14)10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of propan-2-yl 2-(3-chlorophenyl)sulfinylacetate?
propan-2-yl 2-(3-chlorophenyl)sulfinylacetate has a molecular weight of 260.74 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3-chlorophenyl)sulfinylacetate is sourced from PubChem (CID 62647010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).