3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene

C19H16S4 — CID 132568835

IUPAC3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESCc1ccsc1-c1ccsc1-c1cc(C)c(-c2sccc2C)s1
InChIInChI=1S/C19H16S4/c1-11-4-7-20-16(11)14-6-9-22-19(14)15-10-13(3)18(23-15)17-12(2)5-8-21-17/h4-10H,1-3H3
InChIKeyUFDNPJWXGOTWCL-UHFFFAOYSA-N
MW372.61 g/mol
LogP7.86
Rot. Bonds3

About 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene

3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene (PubChem CID 132568835) has the molecular formula C19H16S4 and a molecular weight of 372.61 g/mol. Its IUPAC name is 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene
PubChem CID132568835
Molecular FormulaC19H16S4
Molecular Weight372.61 g/mol
Exact Mass372.01
IUPAC Name3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene
SMILESCc1ccsc1-c1ccsc1-c1cc(C)c(-c2sccc2C)s1
InChIInChI=1S/C19H16S4/c1-11-4-7-20-16(11)14-6-9-22-19(14)15-10-13(3)18(23-15)17-12(2)5-8-21-17/h4-10H,1-3H3
InChIKeyUFDNPJWXGOTWCL-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.61
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(5-hydroxythiophen-2-yl)thiophen-3-yl]-4-methylthiophen-2-ol
CID 67704021
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CID 70359912
3-methyl-4-(3-methylthiophen-2-yl)aniline
CID 78973947
3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene
CID 101018673
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
2,8-bis[3-methyl-5-(3-methylthiophen-2-yl)thiophen-2-yl]-1,2,3,4,4a,4b,5,5a,6a,7,8,9,10,10a,10b,11,11a,12a-octadecahydroindeno[1,2-b]fluorene-6,12-dione
CID 76569383
2,5-bis(3-methylthiophen-2-yl)thiophene-3,4-dicarbonitrile
CID 146403920
1-fluoro-6,13-bis[4-methyl-5-(3-methylthiophen-2-yl)thiophen-2-yl]-2,17-dioxa-9-aza-10-azonia-1-boranuidatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9,11(16),12,14-heptaene
CID 177453940
1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione
CID 123200766
[4-methyl-3-(3-methylthiophen-2-yl)phenyl]methanamine
CID 105409183
2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene
CID 139840485
2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde
CID 139035215

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene?
The IUPAC name of 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene (CID 132568835) is 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene.
What is the SMILES notation for 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene?
The canonical SMILES for 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene is Cc1ccsc1-c1ccsc1-c1cc(C)c(-c2sccc2C)s1.
What is the InChIKey of 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene?
The InChIKey is UFDNPJWXGOTWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16S4/c1-11-4-7-20-16(11)14-6-9-22-19(14)15-10-13(3)18(23-15)17-12(2)5-8-21-17/h4-10H,1-3H3.
What are the key properties of 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene?
3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene has a molecular weight of 372.61 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylthiophen-2-yl)-5-[3-(3-methylthiophen-2-yl)thiophen-2-yl]thiophene is sourced from PubChem (CID 132568835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).