2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene

C10H7Cl3S2 — CID 102764724

IUPAC2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2sccc2Cl)sc1Cl
InChIInChI=1S/C10H7Cl3S2/c1-5-4-7(15-10(5)13)8(12)9-6(11)2-3-14-9/h2-4,8H,1H3
InChIKeyHBWWHXCILNALEE-UHFFFAOYSA-N
MW297.66 g/mol
LogP5.75
Rot. Bonds2

About 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene

2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene (PubChem CID 102764724) has the molecular formula C10H7Cl3S2 and a molecular weight of 297.66 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
PubChem CID102764724
Molecular FormulaC10H7Cl3S2
Molecular Weight297.66 g/mol
Exact Mass295.91
IUPAC Name2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2sccc2Cl)sc1Cl
InChIInChI=1S/C10H7Cl3S2/c1-5-4-7(15-10(5)13)8(12)9-6(11)2-3-14-9/h2-4,8H,1H3
InChIKeyHBWWHXCILNALEE-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.66
LogP ≤ 55.75
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-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-3-methylthiophene
CID 103404938
2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80530251
3-chloro-2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]thiophene
CID 80640930
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306
2,5-dichloro-3-[chloro-(3-chlorothiophen-2-yl)methyl]thiophene
CID 80642391
5-[(3-bromothiophen-2-yl)-chloromethyl]-2,3-dimethylthiophene
CID 80537402
3-chloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]thiophene
CID 106863217
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102765008
2-[chloro-(3-chlorothiophen-2-yl)methyl]-6-fluoro-1-benzothiophene
CID 81104192
2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80531860
2-[(3-bromo-4-methylphenyl)-chloromethyl]-3-chlorothiophene
CID 81476818

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene (CID 102764724) is 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene is Cc1cc(C(Cl)c2sccc2Cl)sc1Cl.
What is the InChIKey of 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
The InChIKey is HBWWHXCILNALEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3S2/c1-5-4-7(15-10(5)13)8(12)9-6(11)2-3-14-9/h2-4,8H,1H3.
What are the key properties of 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene has a molecular weight of 297.66 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene is sourced from PubChem (CID 102764724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).