5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene

C12H10Cl4S2 — CID 175564922

IUPAC5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene
SMILESClC1C=CC=CC1(Cl)SSC1(Cl)C=CC=CC1Cl
InChIInChI=1S/C12H10Cl4S2/c13-9-5-1-3-7-11(9,15)17-18-12(16)8-4-2-6-10(12)14/h1-10H
InChIKeyXOPRMWFFDFYWBM-UHFFFAOYSA-N
MW360.16 g/mol
LogP5.70
Rot. Bonds3

About 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene

5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene (PubChem CID 175564922) has the molecular formula C12H10Cl4S2 and a molecular weight of 360.16 g/mol. Its IUPAC name is 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene
PubChem CID175564922
Molecular FormulaC12H10Cl4S2
Molecular Weight360.16 g/mol
Exact Mass357.90
IUPAC Name5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene
SMILESClC1C=CC=CC1(Cl)SSC1(Cl)C=CC=CC1Cl
InChIInChI=1S/C12H10Cl4S2/c13-9-5-1-3-7-11(9,15)17-18-12(16)8-4-2-6-10(12)14/h1-10H
InChIKeyXOPRMWFFDFYWBM-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.16
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chlorocyclohexa-2,4-diene-1,1-diamine
CID 174711807
1-(1,6-dichlorocyclohexa-2,4-dien-1-yl)ethanone
CID 150946013
sodium 1,6-dichlorocyclohexa-2,4-diene-1-sulfonate
CID 159222808
5,6-dichloro-5-isothiocyanatocyclohexa-1,3-diene
CID 175251987
(1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol
CID 175335226
(1,6-dichlorocyclohexa-2,4-dien-1-yl)-phenylmethanone
CID 174997196
6-chloro-1-methylcyclohexa-2,4-diene-1-carboxamide
CID 150992639
(1S,6R)-1,2,6-trichlorocyclohexa-2,4-dien-1-ol
CID 97049826
1-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 150816987
2,6-dichloro-6-(1,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylcyclohexa-2,4-dien-1-ol
CID 70363496
(7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium
CID 163979689
2-tert-butyl-4,4,10-trichloro-2-azaspiro[4.5]deca-6,8-dien-3-one
CID 15830436

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene?
The IUPAC name of 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene (CID 175564922) is 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene?
The canonical SMILES for 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene is ClC1C=CC=CC1(Cl)SSC1(Cl)C=CC=CC1Cl.
What is the InChIKey of 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene?
The InChIKey is XOPRMWFFDFYWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl4S2/c13-9-5-1-3-7-11(9,15)17-18-12(16)8-4-2-6-10(12)14/h1-10H.
What are the key properties of 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene?
5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene has a molecular weight of 360.16 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene is sourced from PubChem (CID 175564922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).