(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol

C14H10Cl2S2 — CID 101018252

IUPAC(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
SMILESS/C(=C(/S)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2S2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,17-18H/b14-13+
InChIKeyJLVKESKWIDBDTO-BUHFOSPRSA-N
MW313.27 g/mol
LogP5.68
Rot. Bonds2

About (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol

(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol (PubChem CID 101018252) has the molecular formula C14H10Cl2S2 and a molecular weight of 313.27 g/mol. Its IUPAC name is (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol.

Molecular Properties

Compound Name(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
PubChem CID101018252
Molecular FormulaC14H10Cl2S2
Molecular Weight313.27 g/mol
Exact Mass311.96
IUPAC Name(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol
SMILESS/C(=C(/S)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H10Cl2S2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,17-18H/b14-13+
InChIKeyJLVKESKWIDBDTO-BUHFOSPRSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.27
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
1-chloro-4-[(4-chlorophenyl)-[2,3,4-tris[bis(4-chlorophenyl)methylidene]cyclobutylidene]methyl]benzene
CID 101072284
1-[[2,3-bis[bis(4-chlorophenyl)methylidene]cyclopropylidene]-(4-chlorophenyl)methyl]-4-chlorobenzene
CID 11445579
4-chloro(13C)benzoic acid
CID 66995527
azane;1,4-dichlorobenzene
CID 69330361
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
actinium;1-(4-chlorophenyl)ethenol
CID 22892784
1-(4-chlorophenyl)ethenamine
CID 122642948
[amino-(4-chlorophenyl)methylidene]carbamothioic S-acid;carbamothioic S-acid
CID 174055082
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol?
The IUPAC name of (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol (CID 101018252) is (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol.
What is the SMILES notation for (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol?
The canonical SMILES for (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol is S/C(=C(/S)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol?
The InChIKey is JLVKESKWIDBDTO-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H10Cl2S2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,17-18H/b14-13+.
What are the key properties of (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol?
(E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol has a molecular weight of 313.27 g/mol, XLogP of 5.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(4-chlorophenyl)ethene-1,2-dithiol is sourced from PubChem (CID 101018252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).