2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione

C15H10ClNO2S2 — CID 135076902

IUPAC2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione
SMILESC/C(SN1C(=O)c2ccccc2C1=O)=C(\Cl)c1cccs1
InChIInChI=1S/C15H10ClNO2S2/c1-9(13(16)12-7-4-8-20-12)21-17-14(18)10-5-2-3-6-11(10)15(17)19/h2-8H,1H3/b13-9+
InChIKeyMVIJENIANPAKKV-UKTHLTGXSA-N
MW335.84 g/mol
LogP4.62
Rot. Bonds3

About 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione

2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione (PubChem CID 135076902) has the molecular formula C15H10ClNO2S2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione
PubChem CID135076902
Molecular FormulaC15H10ClNO2S2
Molecular Weight335.84 g/mol
Exact Mass334.98
IUPAC Name2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione
SMILESC/C(SN1C(=O)c2ccccc2C1=O)=C(\Cl)c1cccs1
InChIInChI=1S/C15H10ClNO2S2/c1-9(13(16)12-7-4-8-20-12)21-17-14(18)10-5-2-3-6-11(10)15(17)19/h2-8H,1H3/b13-9+
InChIKeyMVIJENIANPAKKV-UKTHLTGXSA-N
XLogP4.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione with MolForge

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Related Compounds

2-[chloro(thiophen-2-yl)methylidene]butanal
CID 53423304
3-chloro-2-phenyl-3-thiophen-2-ylprop-2-enal
CID 142762455
2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051
2-[(E)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanylisoindole-1,3-dione
CID 11119379
methyl (1,3-dioxoisoindol-2-yl)sulfanylformate
CID 13367326
S-(2-acetylphenyl) thiophene-2-carbothioate
CID 154710778
methyl (E)-2-(1,3-dioxoisoindol-2-yl)sulfanyl-3-hydroxybut-2-enoate
CID 102396775
2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
3-acetyl-1-thiophen-2-ylpent-2-ene-1,4-dione
CID 178078508
N-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 4219346
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
benzoic acid;ethane;1-thiophen-2-ylethanone
CID 158279091

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione?
The IUPAC name of 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione (CID 135076902) is 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione?
The canonical SMILES for 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione is C/C(SN1C(=O)c2ccccc2C1=O)=C(\Cl)c1cccs1.
What is the InChIKey of 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione?
The InChIKey is MVIJENIANPAKKV-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H10ClNO2S2/c1-9(13(16)12-7-4-8-20-12)21-17-14(18)10-5-2-3-6-11(10)15(17)19/h2-8H,1H3/b13-9+.
What are the key properties of 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione?
2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione has a molecular weight of 335.84 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-chloro-1-thiophen-2-ylprop-1-en-2-yl]sulfanylisoindole-1,3-dione is sourced from PubChem (CID 135076902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).