(2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride

C8H2Cl2O2S4 — CID 177385072

IUPAC(2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride
SMILESO=C(Cl)C1=CS/C(=C2\SC=C(C(=O)Cl)S2)S1
InChIInChI=1S/C8H2Cl2O2S4/c9-5(11)3-1-13-7(15-3)8-14-2-4(16-8)6(10)12/h1-2H/b8-7-
InChIKeyRPTMFQZEBISROV-FPLPWBNLSA-N
MW329.28 g/mol
LogP4.29
Rot. Bonds2

About (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride

(2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride (PubChem CID 177385072) has the molecular formula C8H2Cl2O2S4 and a molecular weight of 329.28 g/mol. Its IUPAC name is (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride.

Molecular Properties

Compound Name(2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride
PubChem CID177385072
Molecular FormulaC8H2Cl2O2S4
Molecular Weight329.28 g/mol
Exact Mass327.83
IUPAC Name(2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride
SMILESO=C(Cl)C1=CS/C(=C2\SC=C(C(=O)Cl)S2)S1
InChIInChI=1S/C8H2Cl2O2S4/c9-5(11)3-1-13-7(15-3)8-14-2-4(16-8)6(10)12/h1-2H/b8-7-
InChIKeyRPTMFQZEBISROV-FPLPWBNLSA-N
XLogP4.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride?
The IUPAC name of (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride (CID 177385072) is (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride.
What is the SMILES notation for (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride?
The canonical SMILES for (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride is O=C(Cl)C1=CS/C(=C2\SC=C(C(=O)Cl)S2)S1.
What is the InChIKey of (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride?
The InChIKey is RPTMFQZEBISROV-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H2Cl2O2S4/c9-5(11)3-1-13-7(15-3)8-14-2-4(16-8)6(10)12/h1-2H/b8-7-.
What are the key properties of (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride?
(2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride has a molecular weight of 329.28 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-carbonochloridoyl-1,3-dithiol-2-ylidene)-1,3-dithiole-4-carbonyl chloride is sourced from PubChem (CID 177385072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).