3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene

C12H12Cl2S2 — CID 103404581

IUPAC3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene
SMILESCc1cc(C(Cl)c2scc(C)c2Cl)c(C)s1
InChIInChI=1S/C12H12Cl2S2/c1-6-5-15-12(10(6)13)11(14)9-4-7(2)16-8(9)3/h4-5,11H,1-3H3
InChIKeyYIOLSVOSOQIXAA-UHFFFAOYSA-N
MW291.27 g/mol
LogP5.72
Rot. Bonds2

About 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene

3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene (PubChem CID 103404581) has the molecular formula C12H12Cl2S2 and a molecular weight of 291.27 g/mol. Its IUPAC name is 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene.

Molecular Properties

Compound Name3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene
PubChem CID103404581
Molecular FormulaC12H12Cl2S2
Molecular Weight291.27 g/mol
Exact Mass289.98
IUPAC Name3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene
SMILESCc1cc(C(Cl)c2scc(C)c2Cl)c(C)s1
InChIInChI=1S/C12H12Cl2S2/c1-6-5-15-12(10(6)13)11(14)9-4-7(2)16-8(9)3/h4-5,11H,1-3H3
InChIKeyYIOLSVOSOQIXAA-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.27
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404793
2-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
CID 103404938
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
CID 63432587
2-[(4-bromo-5-chloro-2-fluorophenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404935
6-chloro-7-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 103404596
2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene
CID 103404857
3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432141
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
CID 103404573
3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene
CID 63432545
2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-3-methylthiophene
CID 79997347
3-chloro-2-[chloro-(2,4,6-triethylphenyl)methyl]-4-methylthiophene
CID 103404884

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene?
The IUPAC name of 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene (CID 103404581) is 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene.
What is the SMILES notation for 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene?
The canonical SMILES for 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene is Cc1cc(C(Cl)c2scc(C)c2Cl)c(C)s1.
What is the InChIKey of 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene?
The InChIKey is YIOLSVOSOQIXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2S2/c1-6-5-15-12(10(6)13)11(14)9-4-7(2)16-8(9)3/h4-5,11H,1-3H3.
What are the key properties of 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene?
3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene has a molecular weight of 291.27 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene is sourced from PubChem (CID 103404581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).