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

C10H7Br2ClS2 — CID 80531860

IUPAC2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Br)c2sccc2Cl)sc1Br
InChIInChI=1S/C10H7Br2ClS2/c1-5-4-7(15-10(5)12)8(11)9-6(13)2-3-14-9/h2-4,8H,1H3
InChIKeyMFGFDQCTLULQPR-UHFFFAOYSA-N
MW386.56 g/mol
LogP6.02
Rot. Bonds2

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

2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene (PubChem CID 80531860) has the molecular formula C10H7Br2ClS2 and a molecular weight of 386.56 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
PubChem CID80531860
Molecular FormulaC10H7Br2ClS2
Molecular Weight386.56 g/mol
Exact Mass383.80
IUPAC Name2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1cc(C(Br)c2sccc2Cl)sc1Br
InChIInChI=1S/C10H7Br2ClS2/c1-5-4-7(15-10(5)12)8(11)9-6(13)2-3-14-9/h2-4,8H,1H3
InChIKeyMFGFDQCTLULQPR-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 56.02
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

3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835807
2-[bromo-(5-bromo-2-methylphenyl)methyl]-3-chlorothiophene
CID 80531892
2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
CID 61098512
2-[bromo-(3,5-dimethylphenyl)methyl]-3-chlorothiophene
CID 80530329
2-[bromo-(3,4-dichlorophenyl)methyl]-3-methylthiophene
CID 63444838
5-[bromo-(3-methoxythiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102765008
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
2-chloro-5-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 102764724
2-[bromo-(3-chloro-5-methylphenyl)methyl]-3-chlorothiophene
CID 81324150
(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 80536306
2-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-chlorothiophene
CID 80642142
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 80531359

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
The IUPAC name of 2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene (CID 80531860) is 2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
The canonical SMILES for 2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene is Cc1cc(C(Br)c2sccc2Cl)sc1Br.
What is the InChIKey of 2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
The InChIKey is MFGFDQCTLULQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2ClS2/c1-5-4-7(15-10(5)12)8(11)9-6(13)2-3-14-9/h2-4,8H,1H3.
What are the key properties of 2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene?
2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene has a molecular weight of 386.56 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene is sourced from PubChem (CID 80531860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).