2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene

C10H7Br2ClS2 — CID 79997011

IUPAC2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2ccc(Br)s2)sc1Br
InChIInChI=1S/C10H7Br2ClS2/c1-5-4-7(15-10(5)12)9(13)6-2-3-8(11)14-6/h2-4,9H,1H3
InChIKeySHXXCTKZSUOOFS-UHFFFAOYSA-N
MW386.56 g/mol
LogP5.97
Rot. Bonds2

About 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene

2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene (PubChem CID 79997011) has the molecular formula C10H7Br2ClS2 and a molecular weight of 386.56 g/mol. Its IUPAC name is 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
PubChem CID79997011
Molecular FormulaC10H7Br2ClS2
Molecular Weight386.56 g/mol
Exact Mass383.80
IUPAC Name2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2ccc(Br)s2)sc1Br
InChIInChI=1S/C10H7Br2ClS2/c1-5-4-7(15-10(5)12)9(13)6-2-3-8(11)14-6/h2-4,9H,1H3
InChIKeySHXXCTKZSUOOFS-UHFFFAOYSA-N
XLogP5.97
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 ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene?
The IUPAC name of 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene (CID 79997011) is 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene?
The canonical SMILES for 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene is Cc1cc(C(Cl)c2ccc(Br)s2)sc1Br.
What is the InChIKey of 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene?
The InChIKey is SHXXCTKZSUOOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2ClS2/c1-5-4-7(15-10(5)12)9(13)6-2-3-8(11)14-6/h2-4,9H,1H3.
What are the key properties of 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene?
2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene has a molecular weight of 386.56 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(5-bromothiophen-2-yl)-chloromethyl]-3-methylthiophene is sourced from PubChem (CID 79997011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).