(2,4-dichlorophenyl)-(thiolan-2-yl)methanone

C11H10Cl2OS — CID 14667238

IUPAC(2,4-dichlorophenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1CCCS1
InChIInChI=1S/C11H10Cl2OS/c12-7-3-4-8(9(13)6-7)11(14)10-2-1-5-15-10/h3-4,6,10H,1-2,5H2
InChIKeyLPKBMFFUWTZRBZ-UHFFFAOYSA-N
MW261.17 g/mol
LogP4.07
Rot. Bonds2

About (2,4-dichlorophenyl)-(thiolan-2-yl)methanone

(2,4-dichlorophenyl)-(thiolan-2-yl)methanone (PubChem CID 14667238) has the molecular formula C11H10Cl2OS and a molecular weight of 261.17 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(thiolan-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(thiolan-2-yl)methanone
PubChem CID14667238
Molecular FormulaC11H10Cl2OS
Molecular Weight261.17 g/mol
Exact Mass259.98
IUPAC Name(2,4-dichlorophenyl)-(thiolan-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1CCCS1
InChIInChI=1S/C11H10Cl2OS/c12-7-3-4-8(9(13)6-7)11(14)10-2-1-5-15-10/h3-4,6,10H,1-2,5H2
InChIKeyLPKBMFFUWTZRBZ-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
cyclobutyl-(2,4-dichlorophenyl)methanone
CID 24724148
N-(4-chloro-2-iodophenyl)thiolane-2-carboxamide
CID 103766813
4-(2,4-dichlorobenzoyl)thiane-3,5-dione
CID 14072889
(3-fluoro-2-methylphenyl)-(thiolan-2-yl)methanone
CID 130952108
(2,5-dibromophenyl)-(thian-2-yl)methanone
CID 114373349
(2,5-dichlorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanone
CID 103344865
(4-chloro-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641810
2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone
CID 124512685
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,4-dichlorophenyl)methanone
CID 66396102
2-(2,4-dichlorobenzoyl)-4,6-dimethylcyclohexane-1,3-dione
CID 14749824
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787260

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(thiolan-2-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(thiolan-2-yl)methanone (CID 14667238) is (2,4-dichlorophenyl)-(thiolan-2-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(thiolan-2-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(thiolan-2-yl)methanone is O=C(c1ccc(Cl)cc1Cl)C1CCCS1.
What is the InChIKey of (2,4-dichlorophenyl)-(thiolan-2-yl)methanone?
The InChIKey is LPKBMFFUWTZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2OS/c12-7-3-4-8(9(13)6-7)11(14)10-2-1-5-15-10/h3-4,6,10H,1-2,5H2.
What are the key properties of (2,4-dichlorophenyl)-(thiolan-2-yl)methanone?
(2,4-dichlorophenyl)-(thiolan-2-yl)methanone has a molecular weight of 261.17 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(thiolan-2-yl)methanone is sourced from PubChem (CID 14667238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).