5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc

C11H7ClOS2Zn — CID 174687805

IUPAC5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc
SMILESO=C(Cl)c1csc(-c2ccccc2S)c1.[Zn]
InChIInChI=1S/C11H7ClOS2.Zn/c12-11(13)7-5-10(15-6-7)8-3-1-2-4-9(8)14;/h1-6,14H;
InChIKeyCXLIOZJTEWOQQW-UHFFFAOYSA-N
MW320.15 g/mol
LogP4.08
Rot. Bonds2

About 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc

5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc (PubChem CID 174687805) has the molecular formula C11H7ClOS2Zn and a molecular weight of 320.15 g/mol. Its IUPAC name is 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc.

Molecular Properties

Compound Name5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc
PubChem CID174687805
Molecular FormulaC11H7ClOS2Zn
Molecular Weight320.15 g/mol
Exact Mass317.89
IUPAC Name5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc
SMILESO=C(Cl)c1csc(-c2ccccc2S)c1.[Zn]
InChIInChI=1S/C11H7ClOS2.Zn/c12-11(13)7-5-10(15-6-7)8-3-1-2-4-9(8)14;/h1-6,14H;
InChIKeyCXLIOZJTEWOQQW-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bromophenyl)thiophene-3-carboxylic acid
CID 115503539
methyl 5-(2-sulfanylphenyl)thiophene-3-sulfonate
CID 174748143
thiophene-2,4-dicarbonyl chloride
CID 118254397
sodium 3-hydroxy-4-sulfanylbenzoyl chloride
CID 22351905
2-[4-(4-fluorophenyl)thiophen-2-yl]benzoyl chloride
CID 87542215
phenyl-[5-[4-(2-phenylphenyl)phenyl]thiophen-3-yl]methanone;sulfane
CID 172747711
3-(trifluoromethyl)-4-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134617336
2-sulfanylbenzoyl chloride;hydrochloride
CID 162321706
5-pyridin-2-ylthiophene-3-carboxylic acid
CID 79684127
biphenylene-2,7-dicarbonyl chloride
CID 59041868
5-(1H-indol-3-yl)thiophene-3-carboxylic acid
CID 82478024
thianthrene-2-carbonyl chloride
CID 15866382

Frequently Asked Questions

What is the IUPAC name of 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc?
The IUPAC name of 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc (CID 174687805) is 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc.
What is the SMILES notation for 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc?
The canonical SMILES for 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc is O=C(Cl)c1csc(-c2ccccc2S)c1.[Zn].
What is the InChIKey of 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc?
The InChIKey is CXLIOZJTEWOQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClOS2.Zn/c12-11(13)7-5-10(15-6-7)8-3-1-2-4-9(8)14;/h1-6,14H;.
What are the key properties of 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc?
5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc has a molecular weight of 320.15 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-sulfanylphenyl)thiophene-3-carbonyl chloride;zinc is sourced from PubChem (CID 174687805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).