1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene

C11H14Cl2OS — CID 15568735

IUPAC1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene
SMILESCCOC(C)(Cl)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2OS/c1-3-14-11(2,13)8-15-10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyQODZVVXCTYVKDA-UHFFFAOYSA-N
MW265.20 g/mol
LogP4.42
Rot. Bonds5

About 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene

1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene (PubChem CID 15568735) has the molecular formula C11H14Cl2OS and a molecular weight of 265.20 g/mol. Its IUPAC name is 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene
PubChem CID15568735
Molecular FormulaC11H14Cl2OS
Molecular Weight265.20 g/mol
Exact Mass264.01
IUPAC Name1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene
SMILESCCOC(C)(Cl)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H14Cl2OS/c1-3-14-11(2,13)8-15-10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyQODZVVXCTYVKDA-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(2-chloro-2-methoxybutyl)sulfanylbenzene
CID 134986426
1-chloro-4-ethylsulfanylbenzene
CID 5324154
1-chloro-4-[(4-chlorophenyl)-diethoxymethyl]benzene
CID 11186405
3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
CID 63069685
1-chloro-4-[3-(4-ethoxyphenoxy)propylsulfanyl]benzene
CID 2283089
1-(1-bromo-2-ethoxypropan-2-yl)-4-chlorobenzene
CID 73333167
1-chloro-4-(1,2,2-trichloropropylsulfanyl)benzene
CID 13419823
1-chloro-4-[3-(4-chlorophenyl)sulfanylpropylsulfanyl]benzene
CID 12836424
1-(4-chlorophenyl)sulfanyl-N,N-dimethylmethanamine
CID 95562061
3-(4-chlorophenyl)sulfanyl-2-cyclopropyl-2-(ethylamino)propanamide
CID 63916885
1-chloro-4-[4-(2-methylbutan-2-ylsulfanyl)phenoxy]benzene
CID 71038662
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene?
The IUPAC name of 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene (CID 15568735) is 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene?
The canonical SMILES for 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene is CCOC(C)(Cl)CSc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene?
The InChIKey is QODZVVXCTYVKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2OS/c1-3-14-11(2,13)8-15-10-6-4-9(12)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene?
1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene has a molecular weight of 265.20 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-chloro-2-ethoxypropyl)sulfanylbenzene is sourced from PubChem (CID 15568735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).