2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene

C10H6BrCl3S2 — CID 103404857

IUPAC2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene
SMILESCc1csc(C(Cl)c2cc(Cl)c(Br)s2)c1Cl
InChIInChI=1S/C10H6BrCl3S2/c1-4-3-15-9(7(4)13)8(14)6-2-5(12)10(11)16-6/h2-3,8H,1H3
InChIKeyRPORQIHWESGBGD-UHFFFAOYSA-N
MW376.56 g/mol
LogP6.52
Rot. Bonds2

About 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene

2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene (PubChem CID 103404857) has the molecular formula C10H6BrCl3S2 and a molecular weight of 376.56 g/mol. Its IUPAC name is 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene.

Molecular Properties

Compound Name2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene
PubChem CID103404857
Molecular FormulaC10H6BrCl3S2
Molecular Weight376.56 g/mol
Exact Mass373.82
IUPAC Name2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene
SMILESCc1csc(C(Cl)c2cc(Cl)c(Br)s2)c1Cl
InChIInChI=1S/C10H6BrCl3S2/c1-4-3-15-9(7(4)13)8(14)6-2-5(12)10(11)16-6/h2-3,8H,1H3
InChIKeyRPORQIHWESGBGD-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.56
LogP ≤ 56.52
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-[(4-bromo-2,5-dimethylphenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404793
2-bromo-3-chloro-5-[chloro-(3,4-dimethylphenyl)methyl]thiophene
CID 80533320
2-[(4-bromo-5-chloro-2-fluorophenyl)-chloromethyl]-3-chloro-4-methylthiophene
CID 103404935
2-bromo-3-chloro-5-[chloro-(5-chlorothiophen-2-yl)methyl]thiophene
CID 80533343
3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene
CID 103404581
2-bromo-3-chloro-5-[chloro-(4-methoxythiophen-2-yl)methyl]thiophene
CID 81125250
2-bromo-3-chloro-5-[chloro-(2,6-difluoro-3-methylphenyl)methyl]thiophene
CID 82816642
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
CID 79997011
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
6-chloro-7-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 103404596
3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
CID 103404573

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene?
The IUPAC name of 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene (CID 103404857) is 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene.
What is the SMILES notation for 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene?
The canonical SMILES for 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene is Cc1csc(C(Cl)c2cc(Cl)c(Br)s2)c1Cl.
What is the InChIKey of 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene?
The InChIKey is RPORQIHWESGBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl3S2/c1-4-3-15-9(7(4)13)8(14)6-2-5(12)10(11)16-6/h2-3,8H,1H3.
What are the key properties of 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene?
2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene has a molecular weight of 376.56 g/mol, XLogP of 6.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-5-[chloro-(3-chloro-4-methylthiophen-2-yl)methyl]thiophene is sourced from PubChem (CID 103404857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).