2,4-dibromo-6-methylsulfanyl-1-benzothiophene

C9H6Br2S2 — CID 131191577

IUPAC2,4-dibromo-6-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(Br)c2cc(Br)sc2c1
InChIInChI=1S/C9H6Br2S2/c1-12-5-2-7(10)6-4-9(11)13-8(6)3-5/h2-4H,1H3
InChIKeyJCXZFFFBHPYXPY-UHFFFAOYSA-N
MW338.09 g/mol
LogP5.15
Rot. Bonds1

About 2,4-dibromo-6-methylsulfanyl-1-benzothiophene

2,4-dibromo-6-methylsulfanyl-1-benzothiophene (PubChem CID 131191577) has the molecular formula C9H6Br2S2 and a molecular weight of 338.09 g/mol. Its IUPAC name is 2,4-dibromo-6-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name2,4-dibromo-6-methylsulfanyl-1-benzothiophene
PubChem CID131191577
Molecular FormulaC9H6Br2S2
Molecular Weight338.09 g/mol
Exact Mass335.83
IUPAC Name2,4-dibromo-6-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(Br)c2cc(Br)sc2c1
InChIInChI=1S/C9H6Br2S2/c1-12-5-2-7(10)6-4-9(11)13-8(6)3-5/h2-4H,1H3
InChIKeyJCXZFFFBHPYXPY-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.09
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-(bromomethyl)-4-methylsulfanyl-1-benzothiophene
CID 131076295
2,5-dibromo-3-methylsulfanylthiophene
CID 13415222
1-bromo-3-fluoro-2-(methoxymethoxy)-5-methylsulfanylbenzene
CID 142560015
2-iodo-6-methylsulfanyl-1-benzothiophen-4-ol
CID 131014707
4-fluoro-6-methylsulfanyl-1-benzothiophene-2-carbonitrile
CID 130971782
2-bromo-4-methylthieno[3,2-c]pyridine
CID 59117113
6-methylsulfanyl-1-benzothiophene-2,3-diamine
CID 131031250
4-hydroxy-6-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131122803
6,16-dibromo-5,11,17-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene
CID 118311416
2-bromo-1-fluoro-4-methylsulfanylbenzene
CID 83409864
2-bromo-6-chloro-4-methoxy-1-benzothiophene
CID 130914553
6-methylsulfanyl-3-sulfanyl-1-benzothiophen-2-ol
CID 130941211

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-methylsulfanyl-1-benzothiophene?
The IUPAC name of 2,4-dibromo-6-methylsulfanyl-1-benzothiophene (CID 131191577) is 2,4-dibromo-6-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 2,4-dibromo-6-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 2,4-dibromo-6-methylsulfanyl-1-benzothiophene is CSc1cc(Br)c2cc(Br)sc2c1.
What is the InChIKey of 2,4-dibromo-6-methylsulfanyl-1-benzothiophene?
The InChIKey is JCXZFFFBHPYXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2S2/c1-12-5-2-7(10)6-4-9(11)13-8(6)3-5/h2-4H,1H3.
What are the key properties of 2,4-dibromo-6-methylsulfanyl-1-benzothiophene?
2,4-dibromo-6-methylsulfanyl-1-benzothiophene has a molecular weight of 338.09 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 131191577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).