2-benzylsulfanyl-5-bromothiophene

C11H9BrS2 — CID 121378629

IUPAC2-benzylsulfanyl-5-bromothiophene
SMILESBrc1ccc(SCc2ccccc2)s1
InChIInChI=1S/C11H9BrS2/c12-10-6-7-11(14-10)13-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyOLZDTLYGESAODB-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.80
Rot. Bonds3

About 2-benzylsulfanyl-5-bromothiophene

2-benzylsulfanyl-5-bromothiophene (PubChem CID 121378629) has the molecular formula C11H9BrS2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-bromothiophene.

Molecular Properties

Compound Name2-benzylsulfanyl-5-bromothiophene
PubChem CID121378629
Molecular FormulaC11H9BrS2
Molecular Weight285.23 g/mol
Exact Mass283.93
IUPAC Name2-benzylsulfanyl-5-bromothiophene
SMILESBrc1ccc(SCc2ccccc2)s1
InChIInChI=1S/C11H9BrS2/c12-10-6-7-11(14-10)13-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyOLZDTLYGESAODB-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-2-yl)sulfanylmethanethiol
CID 117033712
2-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]-5-[1,2,2-tris[5-[[3,5-bis(phenylmethoxy)phenyl]methylsulfanyl]thiophen-2-yl]ethenyl]thiophene
CID 101251536
1-benzylsulfanyl-2-(2-benzylsulfanylphenyl)benzene
CID 5199420
1-benzylsulfanyl-4-(4-benzylsulfanylphenyl)sulfanylbenzene
CID 3090418
2-(benzylsulfanylmethyl)-3-bromothiophene
CID 63458237
2-benzylsulfanyl-6-bromo-[1,3]thiazolo[5,4-b]pyridine
CID 117097310
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
3-benzylsulfanyl-5-bromopyridine
CID 71076689
2-benzylsulfanyl-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 55773778
1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801859
(4-benzylsulfanyl-3-bromophenyl)methanol
CID 114063168
1-benzylsulfanyl-4-methylbenzene
CID 10940369

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-bromothiophene?
The IUPAC name of 2-benzylsulfanyl-5-bromothiophene (CID 121378629) is 2-benzylsulfanyl-5-bromothiophene.
What is the SMILES notation for 2-benzylsulfanyl-5-bromothiophene?
The canonical SMILES for 2-benzylsulfanyl-5-bromothiophene is Brc1ccc(SCc2ccccc2)s1.
What is the InChIKey of 2-benzylsulfanyl-5-bromothiophene?
The InChIKey is OLZDTLYGESAODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrS2/c12-10-6-7-11(14-10)13-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-benzylsulfanyl-5-bromothiophene?
2-benzylsulfanyl-5-bromothiophene has a molecular weight of 285.23 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-bromothiophene is sourced from PubChem (CID 121378629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).