2-(bromomethyl)-3-methylthiophene

C6H7BrS — CID 18463526

IUPAC2-(bromomethyl)-3-methylthiophene
SMILESCc1ccsc1CBr
InChIInChI=1S/C6H7BrS/c1-5-2-3-8-6(5)4-7/h2-3H,4H2,1H3
InChIKeyLYHMBPDSKXMPBO-UHFFFAOYSA-N
MW191.09 g/mol
LogP2.95
Rot. Bonds1

About 2-(bromomethyl)-3-methylthiophene

2-(bromomethyl)-3-methylthiophene (PubChem CID 18463526) has the molecular formula C6H7BrS and a molecular weight of 191.09 g/mol. Its IUPAC name is 2-(bromomethyl)-3-methylthiophene.

Molecular Properties

Compound Name2-(bromomethyl)-3-methylthiophene
PubChem CID18463526
Molecular FormulaC6H7BrS
Molecular Weight191.09 g/mol
Exact Mass189.95
IUPAC Name2-(bromomethyl)-3-methylthiophene
SMILESCc1ccsc1CBr
InChIInChI=1S/C6H7BrS/c1-5-2-3-8-6(5)4-7/h2-3H,4H2,1H3
InChIKeyLYHMBPDSKXMPBO-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromopropyl)-3-methylthiophene
CID 19688419
CID 172777676
CID 172777676
2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895
4-(3-methylthiophen-2-yl)butan-2-one
CID 11041114
2-(3-bromobutyl)-3-methylthiophene
CID 79994830
3-methyl-2-(methylsulfonylmethyl)thiophene
CID 86036540
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
2-hexyl-3-methylthiophene
CID 69043695
2,3-dimethylthiophene;ethane
CID 54075062
1,1-dimethyl-2-[(3-methylthiophen-2-yl)methyl]hydrazine
CID 83003822
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
2-methyl-3-(3-methylthiophen-2-yl)propane-1-thiol
CID 83929103

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-methylthiophene?
The IUPAC name of 2-(bromomethyl)-3-methylthiophene (CID 18463526) is 2-(bromomethyl)-3-methylthiophene.
What is the SMILES notation for 2-(bromomethyl)-3-methylthiophene?
The canonical SMILES for 2-(bromomethyl)-3-methylthiophene is Cc1ccsc1CBr.
What is the InChIKey of 2-(bromomethyl)-3-methylthiophene?
The InChIKey is LYHMBPDSKXMPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrS/c1-5-2-3-8-6(5)4-7/h2-3H,4H2,1H3.
What are the key properties of 2-(bromomethyl)-3-methylthiophene?
2-(bromomethyl)-3-methylthiophene has a molecular weight of 191.09 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-methylthiophene is sourced from PubChem (CID 18463526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).