2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride

C15H11Cl3O2S — CID 66573868

IUPAC2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride
SMILESO=C(Cl)CSCc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3O2S/c16-12-6-5-11(7-13(12)17)20-14-4-2-1-3-10(14)8-21-9-15(18)19/h1-7H,8-9H2
InChIKeyKVGXGDRCSRHIBB-UHFFFAOYSA-N
MW361.68 g/mol
LogP5.78
Rot. Bonds6

About 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride

2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride (PubChem CID 66573868) has the molecular formula C15H11Cl3O2S and a molecular weight of 361.68 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride
PubChem CID66573868
Molecular FormulaC15H11Cl3O2S
Molecular Weight361.68 g/mol
Exact Mass359.95
IUPAC Name2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride
SMILESO=C(Cl)CSCc1ccccc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3O2S/c16-12-6-5-11(7-13(12)17)20-14-4-2-1-3-10(14)8-21-9-15(18)19/h1-7H,8-9H2
InChIKeyKVGXGDRCSRHIBB-UHFFFAOYSA-N
XLogP5.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.68
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide
CID 66573934
[2-(3,4-dichlorophenoxy)phenyl]methanamine;hydrochloride
CID 19926666
N-[[2-(3,4-dichlorophenoxy)phenyl]methyl]ethanamine;hydrochloride
CID 126796280
1-[2-(3,4-dichlorophenoxy)phenyl]ethanone
CID 60699063
2-[[4-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetic acid
CID 66573806
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
2-chloro-4-[2-(hydroxymethyl)phenoxy]benzaldehyde
CID 114064189
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
CID 11558602
2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfinyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 11626957
2-[2-(4-methylphenoxy)phenyl]acetyl chloride
CID 173381947
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
CID 78137725

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride?
The IUPAC name of 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride (CID 66573868) is 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride?
The canonical SMILES for 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride is O=C(Cl)CSCc1ccccc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride?
The InChIKey is KVGXGDRCSRHIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O2S/c16-12-6-5-11(7-13(12)17)20-14-4-2-1-3-10(14)8-21-9-15(18)19/h1-7H,8-9H2.
What are the key properties of 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride?
2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride has a molecular weight of 361.68 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenoxy)phenyl]methylsulfanyl]acetyl chloride is sourced from PubChem (CID 66573868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).