2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene

C10H9BrS2 — CID 61098512

IUPAC2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1ccsc1C(Br)c1cccs1
InChIInChI=1S/C10H9BrS2/c1-7-4-6-13-10(7)9(11)8-3-2-5-12-8/h2-6,9H,1H3
InChIKeyWDMQHXHDWGUVHN-UHFFFAOYSA-N
MW273.22 g/mol
LogP4.60
Rot. Bonds2

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

2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene (PubChem CID 61098512) has the molecular formula C10H9BrS2 and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
PubChem CID61098512
Molecular FormulaC10H9BrS2
Molecular Weight273.22 g/mol
Exact Mass271.93
IUPAC Name2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene
SMILESCc1ccsc1C(Br)c1cccs1
InChIInChI=1S/C10H9BrS2/c1-7-4-6-13-10(7)9(11)8-3-2-5-12-8/h2-6,9H,1H3
InChIKeyWDMQHXHDWGUVHN-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 54.60
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-[bromo(thiophen-2-yl)methyl]-3-ethylthiophene
CID 79975387
3-bromo-5-[bromo-(3-methylthiophen-2-yl)methyl]-2-methylthiophene
CID 102835807
2-[bromo-(3,4-dimethylphenyl)methyl]-3-methylthiophene
CID 63435676
2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80531860
2-[bromo-(4-phenylphenyl)methyl]-3-methylthiophene
CID 63437840
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
2-[bromo-(3,4-dichlorophenyl)methyl]-3-methylthiophene
CID 63444838
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
1-(3-methylthiophen-2-yl)-2-thiophen-2-ylethanamine
CID 61079972
2-[(2S,3S)-3-bromobutan-2-yl]thiophene
CID 97044464
2-[bromo-(2-methoxy-5-methylphenyl)methyl]-3-methylthiophene
CID 63443253
2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-3-methylthiophene
CID 63435889

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene?
The IUPAC name of 2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene (CID 61098512) is 2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene?
The canonical SMILES for 2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene is Cc1ccsc1C(Br)c1cccs1.
What is the InChIKey of 2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene?
The InChIKey is WDMQHXHDWGUVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrS2/c1-7-4-6-13-10(7)9(11)8-3-2-5-12-8/h2-6,9H,1H3.
What are the key properties of 2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene?
2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene has a molecular weight of 273.22 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(thiophen-2-yl)methyl]-3-methylthiophene is sourced from PubChem (CID 61098512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).