1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene

C16H16Cl2S — CID 66735184

IUPAC1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene
SMILESCC(Cl)c1ccccc1Sc1ccccc1C(C)Cl
InChIInChI=1S/C16H16Cl2S/c1-11(17)13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)12(2)18/h3-12H,1-2H3
InChIKeyAROOECMWGQBCAU-UHFFFAOYSA-N
MW311.28 g/mol
LogP6.44
Rot. Bonds4

About 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene

1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene (PubChem CID 66735184) has the molecular formula C16H16Cl2S and a molecular weight of 311.28 g/mol. Its IUPAC name is 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene
PubChem CID66735184
Molecular FormulaC16H16Cl2S
Molecular Weight311.28 g/mol
Exact Mass310.03
IUPAC Name1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene
SMILESCC(Cl)c1ccccc1Sc1ccccc1C(C)Cl
InChIInChI=1S/C16H16Cl2S/c1-11(17)13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)12(2)18/h3-12H,1-2H3
InChIKeyAROOECMWGQBCAU-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.28
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[2-(2-chlorophenyl)sulfanylphenyl]ethanol
CID 63813984
chloro-(2-ethylsulfanylphenyl)methanamine
CID 174741765
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079
1-[chloro-(2-methylsulfanylphenyl)methyl]-4-propan-2-ylbenzene
CID 79218072
1-[2-(2-methoxyphenyl)sulfanylphenyl]ethanol
CID 63835196
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
(1R)-1-[2-(2-methylfuran-3-yl)sulfanylphenyl]ethanamine
CID 107780656
calcium bis(2-propan-2-ylphenolate)
CID 21315928
[(1R)-1-chloroethyl]benzene
CID 642190
(1R)-1-(2-pyrimidin-2-ylsulfanylphenyl)ethanol
CID 78952097
2-[2-[2-(1-cyanoethyl)phenyl]sulfanylphenyl]acetic acid
CID 70579669

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene?
The IUPAC name of 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene (CID 66735184) is 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene.
What is the SMILES notation for 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene?
The canonical SMILES for 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene is CC(Cl)c1ccccc1Sc1ccccc1C(C)Cl.
What is the InChIKey of 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene?
The InChIKey is AROOECMWGQBCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2S/c1-11(17)13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)12(2)18/h3-12H,1-2H3.
What are the key properties of 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene?
1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene has a molecular weight of 311.28 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethyl)-2-[2-(1-chloroethyl)phenyl]sulfanylbenzene is sourced from PubChem (CID 66735184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).