2-sulfanyl-2-thiophen-2-ylacetyl chloride

C6H5ClOS2 — CID 141471149

IUPAC2-sulfanyl-2-thiophen-2-ylacetyl chloride
SMILESO=C(Cl)C(S)c1cccs1
InChIInChI=1S/C6H5ClOS2/c7-6(8)5(9)4-2-1-3-10-4/h1-3,5,9H
InChIKeyPTVCBZKSKWNFOS-UHFFFAOYSA-N
MW192.69 g/mol
LogP2.48
Rot. Bonds2

About 2-sulfanyl-2-thiophen-2-ylacetyl chloride

2-sulfanyl-2-thiophen-2-ylacetyl chloride (PubChem CID 141471149) has the molecular formula C6H5ClOS2 and a molecular weight of 192.69 g/mol. Its IUPAC name is 2-sulfanyl-2-thiophen-2-ylacetyl chloride.

Molecular Properties

Compound Name2-sulfanyl-2-thiophen-2-ylacetyl chloride
PubChem CID141471149
Molecular FormulaC6H5ClOS2
Molecular Weight192.69 g/mol
Exact Mass191.95
IUPAC Name2-sulfanyl-2-thiophen-2-ylacetyl chloride
SMILESO=C(Cl)C(S)c1cccs1
InChIInChI=1S/C6H5ClOS2/c7-6(8)5(9)4-2-1-3-10-4/h1-3,5,9H
InChIKeyPTVCBZKSKWNFOS-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-sulfanyl-2-thiophen-2-ylacetyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
2-nitroso-2-thiophen-2-ylacetic acid
CID 54218516
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
methyl 2-thiophen-2-ylpropanoate
CID 12819459
1-hydroxy-1-thiophen-2-ylpropan-2-one
CID 15048018
S-(2,2-dithiophen-2-ylacetyl)sulfanyl 2,2-dithiophen-2-ylethanethioate
CID 141308355
methyl 2-chloro-2-thiophen-2-ylacetate
CID 60704267
2-chloro-N-methyl-2-thiophen-2-ylacetamide
CID 10103980
2-(diaminomethylideneamino)-2-thiophen-2-ylacetic acid
CID 138683337
2-iodo-2-thiophen-2-ylacetamide
CID 66740112
1-amino-1-thiophen-2-ylpropan-2-one
CID 55294508
(2R)-2-hydroxy-1,2-dithiophen-2-ylethanone
CID 725360

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-2-thiophen-2-ylacetyl chloride?
The IUPAC name of 2-sulfanyl-2-thiophen-2-ylacetyl chloride (CID 141471149) is 2-sulfanyl-2-thiophen-2-ylacetyl chloride.
What is the SMILES notation for 2-sulfanyl-2-thiophen-2-ylacetyl chloride?
The canonical SMILES for 2-sulfanyl-2-thiophen-2-ylacetyl chloride is O=C(Cl)C(S)c1cccs1.
What is the InChIKey of 2-sulfanyl-2-thiophen-2-ylacetyl chloride?
The InChIKey is PTVCBZKSKWNFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClOS2/c7-6(8)5(9)4-2-1-3-10-4/h1-3,5,9H.
What are the key properties of 2-sulfanyl-2-thiophen-2-ylacetyl chloride?
2-sulfanyl-2-thiophen-2-ylacetyl chloride has a molecular weight of 192.69 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2-thiophen-2-ylacetyl chloride is sourced from PubChem (CID 141471149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).