2-(5-methylthiophen-2-yl)-1-benzothiophene

C13H10S2 — CID 23543358

IUPAC2-(5-methylthiophen-2-yl)-1-benzothiophene
SMILESCc1ccc(-c2cc3ccccc3s2)s1
InChIInChI=1S/C13H10S2/c1-9-6-7-12(14-9)13-8-10-4-2-3-5-11(10)15-13/h2-8H,1H3
InChIKeyLWQGYEHQILZJQT-UHFFFAOYSA-N
MW230.36 g/mol
LogP4.94
Rot. Bonds1

About 2-(5-methylthiophen-2-yl)-1-benzothiophene

2-(5-methylthiophen-2-yl)-1-benzothiophene (PubChem CID 23543358) has the molecular formula C13H10S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-1-benzothiophene
PubChem CID23543358
Molecular FormulaC13H10S2
Molecular Weight230.36 g/mol
Exact Mass230.02
IUPAC Name2-(5-methylthiophen-2-yl)-1-benzothiophene
SMILESCc1ccc(-c2cc3ccccc3s2)s1
InChIInChI=1S/C13H10S2/c1-9-6-7-12(14-9)13-8-10-4-2-3-5-11(10)15-13/h2-8H,1H3
InChIKeyLWQGYEHQILZJQT-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
6,17-bis(5-methylthiophen-2-yl)-5,18-dithiapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(20),2,4(8),6,9,11,13,15(19),16-nonaene
CID 122645046
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
2-(2,6-dimethylphenyl)-1-benzothiophene
CID 641356
7,16-bis(5-methylthiophen-2-yl)-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 144714716
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
methyl 5-(1-benzothiophen-2-yl)thiophene-2-carboxylate
CID 3265084
2-(1-benzothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
CID 158204466
6-(1-benzothiophen-2-yl)-3-methyl-1H-pyridin-2-one
CID 167786164
2-(1-benzothiophen-2-yl)benzene-1,3-diamine
CID 102202625
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
CID 23543361

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-1-benzothiophene?
The IUPAC name of 2-(5-methylthiophen-2-yl)-1-benzothiophene (CID 23543358) is 2-(5-methylthiophen-2-yl)-1-benzothiophene.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-1-benzothiophene?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-1-benzothiophene is Cc1ccc(-c2cc3ccccc3s2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-1-benzothiophene?
The InChIKey is LWQGYEHQILZJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S2/c1-9-6-7-12(14-9)13-8-10-4-2-3-5-11(10)15-13/h2-8H,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-1-benzothiophene?
2-(5-methylthiophen-2-yl)-1-benzothiophene has a molecular weight of 230.36 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-1-benzothiophene is sourced from PubChem (CID 23543358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).