3-methyl-7-thiophen-3-yl-1-benzothiophene

C13H10S2 — CID 23543483

IUPAC3-methyl-7-thiophen-3-yl-1-benzothiophene
SMILESCc1csc2c(-c3ccsc3)cccc12
InChIInChI=1S/C13H10S2/c1-9-7-15-13-11(9)3-2-4-12(13)10-5-6-14-8-10/h2-8H,1H3
InChIKeyDKIVLTJXZNXCMF-UHFFFAOYSA-N
MW230.36 g/mol
LogP4.94
Rot. Bonds1

About 3-methyl-7-thiophen-3-yl-1-benzothiophene

3-methyl-7-thiophen-3-yl-1-benzothiophene (PubChem CID 23543483) has the molecular formula C13H10S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-methyl-7-thiophen-3-yl-1-benzothiophene.

Molecular Properties

Compound Name3-methyl-7-thiophen-3-yl-1-benzothiophene
PubChem CID23543483
Molecular FormulaC13H10S2
Molecular Weight230.36 g/mol
Exact Mass230.02
IUPAC Name3-methyl-7-thiophen-3-yl-1-benzothiophene
SMILESCc1csc2c(-c3ccsc3)cccc12
InChIInChI=1S/C13H10S2/c1-9-7-15-13-11(9)3-2-4-12(13)10-5-6-14-8-10/h2-8H,1H3
InChIKeyDKIVLTJXZNXCMF-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

4-thiophen-3-yl-1-benzothiophene
CID 54496149
3-methyl-1-benzothiophen-7-amine
CID 12675888
(4S)-1,4-dimethyl-2,6-dimethylidene-4-(7-thiophen-3-yl-1-benzothiophen-3-yl)-1,3-diazinane
CID 145461829
7-(bromomethyl)-3-methyl-1-benzothiophene
CID 14780499
5-chloro-4-(3-methyl-1-benzothiophen-7-yl)pyridin-2-amine
CID 171659985
cyclopenta[c]thiopyran
CID 584139
3-(1-bromonaphthalen-2-yl)thiophene
CID 68643635
2-methyl-3-(3-methyl-1-benzothiophen-7-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22473735
3-methyl-7-phenoxy-1-benzothiophene
CID 23543487
4,5-di(thiophen-3-yl)thieno[3,2-g][1]benzothiole
CID 102164796
3-(3-methylphenyl)thiophene
CID 4130346
ethane;3-(3-methylphenyl)thiophene
CID 143181540

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-thiophen-3-yl-1-benzothiophene?
The IUPAC name of 3-methyl-7-thiophen-3-yl-1-benzothiophene (CID 23543483) is 3-methyl-7-thiophen-3-yl-1-benzothiophene.
What is the SMILES notation for 3-methyl-7-thiophen-3-yl-1-benzothiophene?
The canonical SMILES for 3-methyl-7-thiophen-3-yl-1-benzothiophene is Cc1csc2c(-c3ccsc3)cccc12.
What is the InChIKey of 3-methyl-7-thiophen-3-yl-1-benzothiophene?
The InChIKey is DKIVLTJXZNXCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10S2/c1-9-7-15-13-11(9)3-2-4-12(13)10-5-6-14-8-10/h2-8H,1H3.
What are the key properties of 3-methyl-7-thiophen-3-yl-1-benzothiophene?
3-methyl-7-thiophen-3-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 3-methyl-7-thiophen-3-yl-1-benzothiophene is sourced from PubChem (CID 23543483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).