2-(benzylsulfanylmethyl)-3-bromothiophene

C12H11BrS2 — CID 63458237

IUPAC2-(benzylsulfanylmethyl)-3-bromothiophene
SMILESBrc1ccsc1CSCc1ccccc1
InChIInChI=1S/C12H11BrS2/c13-11-6-7-15-12(11)9-14-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyUQJCHHHNQHHFOY-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.94
Rot. Bonds4

About 2-(benzylsulfanylmethyl)-3-bromothiophene

2-(benzylsulfanylmethyl)-3-bromothiophene (PubChem CID 63458237) has the molecular formula C12H11BrS2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 2-(benzylsulfanylmethyl)-3-bromothiophene.

Molecular Properties

Compound Name2-(benzylsulfanylmethyl)-3-bromothiophene
PubChem CID63458237
Molecular FormulaC12H11BrS2
Molecular Weight299.26 g/mol
Exact Mass297.95
IUPAC Name2-(benzylsulfanylmethyl)-3-bromothiophene
SMILESBrc1ccsc1CSCc1ccccc1
InChIInChI=1S/C12H11BrS2/c13-11-6-7-15-12(11)9-14-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyUQJCHHHNQHHFOY-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfanylmethyl)-3-bromothiophene?
The IUPAC name of 2-(benzylsulfanylmethyl)-3-bromothiophene (CID 63458237) is 2-(benzylsulfanylmethyl)-3-bromothiophene.
What is the SMILES notation for 2-(benzylsulfanylmethyl)-3-bromothiophene?
The canonical SMILES for 2-(benzylsulfanylmethyl)-3-bromothiophene is Brc1ccsc1CSCc1ccccc1.
What is the InChIKey of 2-(benzylsulfanylmethyl)-3-bromothiophene?
The InChIKey is UQJCHHHNQHHFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrS2/c13-11-6-7-15-12(11)9-14-8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 2-(benzylsulfanylmethyl)-3-bromothiophene?
2-(benzylsulfanylmethyl)-3-bromothiophene has a molecular weight of 299.26 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfanylmethyl)-3-bromothiophene is sourced from PubChem (CID 63458237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).