1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene

C14H10Cl4S2 — CID 71341722

IUPAC1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene
SMILESClc1cc(Cl)cc(CSSCc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10Cl4S2/c15-11-1-9(2-12(16)5-11)7-19-20-8-10-3-13(17)6-14(18)4-10/h1-6H,7-8H2
InChIKeyFTBNNBSSTPSHQD-UHFFFAOYSA-N
MW384.18 g/mol
LogP7.38
Rot. Bonds5

About 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene

1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene (PubChem CID 71341722) has the molecular formula C14H10Cl4S2 and a molecular weight of 384.18 g/mol. Its IUPAC name is 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene
PubChem CID71341722
Molecular FormulaC14H10Cl4S2
Molecular Weight384.18 g/mol
Exact Mass381.90
IUPAC Name1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene
SMILESClc1cc(Cl)cc(CSSCc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C14H10Cl4S2/c15-11-1-9(2-12(16)5-11)7-19-20-8-10-3-13(17)6-14(18)4-10/h1-6H,7-8H2
InChIKeyFTBNNBSSTPSHQD-UHFFFAOYSA-N
XLogP7.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.18
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene?
The IUPAC name of 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene (CID 71341722) is 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene.
What is the SMILES notation for 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene?
The canonical SMILES for 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene is Clc1cc(Cl)cc(CSSCc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene?
The InChIKey is FTBNNBSSTPSHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4S2/c15-11-1-9(2-12(16)5-11)7-19-20-8-10-3-13(17)6-14(18)4-10/h1-6H,7-8H2.
What are the key properties of 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene?
1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene has a molecular weight of 384.18 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[[(3,5-dichlorophenyl)methyldisulfanyl]methyl]benzene is sourced from PubChem (CID 71341722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).