1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene

C14H11Cl3S — CID 12507907

IUPAC1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene
SMILESClCc1ccccc1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3S/c15-8-11-3-1-2-4-14(11)18-9-10-5-6-12(16)13(17)7-10/h1-7H,8-9H2
InChIKeyLOZCIVRJQZXLLA-UHFFFAOYSA-N
MW317.67 g/mol
LogP6.02
Rot. Bonds4

About 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene

1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene (PubChem CID 12507907) has the molecular formula C14H11Cl3S and a molecular weight of 317.67 g/mol. Its IUPAC name is 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene
PubChem CID12507907
Molecular FormulaC14H11Cl3S
Molecular Weight317.67 g/mol
Exact Mass315.96
IUPAC Name1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene
SMILESClCc1ccccc1SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3S/c15-8-11-3-1-2-4-14(11)18-9-10-5-6-12(16)13(17)7-10/h1-7H,8-9H2
InChIKeyLOZCIVRJQZXLLA-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.67
LogP ≤ 56.02
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

2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methylaniline
CID 79146565
1-benzhydryl-3-[(3,4-dichlorophenyl)methylsulfanyl]indole
CID 43949435
4-[(3,4-dichlorophenyl)methylsulfanyl]-3-fluoroaniline
CID 43303504
4-[(3,4-dichlorophenyl)methylsulfanyl]-2,5-dimethylphenol
CID 91029474
2-[(3,4-dichlorophenyl)methylsulfanylmethyl]benzonitrile
CID 94804911
1,2-dichloro-4-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79454700
4-[(3,4-dichlorophenyl)methylsulfanyl]-2-methylquinazoline
CID 7210038
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 43936923
4-[(3,4-dichlorophenyl)methylsulfanyl]-3,5-difluoroaniline
CID 63462164
2-[(3,4-dichlorophenyl)methyldisulfanyl]-1-oxidopyridin-1-ium
CID 57197792
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-methyl-4-propan-2-yl-1,2,4-triazole
CID 19716025
1-[3-[(3,4-dichlorophenyl)methylsulfanyl]phenyl]-N-ethylethanamine
CID 64666107

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene?
The IUPAC name of 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene (CID 12507907) is 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene is ClCc1ccccc1SCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene?
The InChIKey is LOZCIVRJQZXLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3S/c15-8-11-3-1-2-4-14(11)18-9-10-5-6-12(16)13(17)7-10/h1-7H,8-9H2.
What are the key properties of 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene?
1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene has a molecular weight of 317.67 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[[2-(chloromethyl)phenyl]sulfanylmethyl]benzene is sourced from PubChem (CID 12507907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).