2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene

C10H8Cl2S2 — CID 80530251

IUPAC2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1ccsc1C(Cl)c1sccc1Cl
InChIInChI=1S/C10H8Cl2S2/c1-6-2-4-13-9(6)8(12)10-7(11)3-5-14-10/h2-5,8H,1H3
InChIKeyFWWSRBGLWCNJCU-UHFFFAOYSA-N
MW263.21 g/mol
LogP5.10
Rot. Bonds2

About 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene

2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene (PubChem CID 80530251) has the molecular formula C10H8Cl2S2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
PubChem CID80530251
Molecular FormulaC10H8Cl2S2
Molecular Weight263.21 g/mol
Exact Mass261.94
IUPAC Name2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1ccsc1C(Cl)c1sccc1Cl
InChIInChI=1S/C10H8Cl2S2/c1-6-2-4-13-9(6)8(12)10-7(11)3-5-14-10/h2-5,8H,1H3
InChIKeyFWWSRBGLWCNJCU-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.21
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene 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

3-chloro-2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]thiophene
CID 80640930
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 102764724
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 81476818
2-[(5-bromo-2-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 80530319
3-chloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]thiophene
CID 106863217
2-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 126973864
3-chloro-2-[chloro-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80530320
3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene
CID 80530635
2-[bromo-(3,4-dichlorophenyl)methyl]-3-methylthiophene
CID 63444838
3-chloro-2-[chloro-(4-ethylphenyl)methyl]thiophene
CID 80530507
3-chloro-2-[chloro-(4-iodophenyl)methyl]thiophene
CID 80530382
3-chloro-2-[chloro-(2,6-dimethoxyphenyl)methyl]thiophene
CID 80530505

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
The IUPAC name of 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene (CID 80530251) is 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
The canonical SMILES for 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene is Cc1ccsc1C(Cl)c1sccc1Cl.
What is the InChIKey of 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
The InChIKey is FWWSRBGLWCNJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2S2/c1-6-2-4-13-9(6)8(12)10-7(11)3-5-14-10/h2-5,8H,1H3.
What are the key properties of 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene has a molecular weight of 263.21 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene is sourced from PubChem (CID 80530251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).