7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole

C26H16S5 — CID 143769844

IUPAC7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole
SMILESCc1cc2c(ccc3sc(-c4ccc(-c5cc6c(ccc7sc(C)cc76)s5)s4)cc32)s1
InChIInChI=1S/C26H16S5/c1-13-9-15-17-11-25(29-21(17)5-3-19(15)27-13)23-7-8-24(31-23)26-12-18-16-10-14(2)28-20(16)4-6-22(18)30-26/h3-12H,1-2H3
InChIKeyJOHLKLLKANMJBU-UHFFFAOYSA-N
MW488.75 g/mol
LogP10.56
Rot. Bonds2

About 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole

7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole (PubChem CID 143769844) has the molecular formula C26H16S5 and a molecular weight of 488.75 g/mol. Its IUPAC name is 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole.

Molecular Properties

Compound Name7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole
PubChem CID143769844
Molecular FormulaC26H16S5
Molecular Weight488.75 g/mol
Exact Mass487.99
IUPAC Name7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole
SMILESCc1cc2c(ccc3sc(-c4ccc(-c5cc6c(ccc7sc(C)cc76)s5)s4)cc32)s1
InChIInChI=1S/C26H16S5/c1-13-9-15-17-11-25(29-21(17)5-3-19(15)27-13)23-7-8-24(31-23)26-12-18-16-10-14(2)28-20(16)4-6-22(18)30-26/h3-12H,1-2H3
InChIKeyJOHLKLLKANMJBU-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.75
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
7-methyl-2-[4-[4-(7-methylthieno[3,2-e][1]benzothiol-2-yl)phenyl]phenyl]thieno[3,2-e][1]benzothiole
CID 143769806
2-methyl-5-[5-(2-methylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]thieno[3,2-b]thiophene
CID 89495689
2,4,5-trimethyl-1-benzothiophene
CID 54060383
2-methylbenzo[e][1]benzothiole
CID 13101461
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014682
7-methyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411635
2,5-bis(5-methylthiophen-2-yl)thieno[3,2-b]thiophene;ethane
CID 161142248
7-methyl-2-prop-1-ynyl-[1]benzothiolo[5,4-e][1]benzothiole
CID 146751468
5-(bromomethyl)-4-iodo-2-methyl-1-benzothiophene
CID 131053521
5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323
(4-methoxy-2-methyl-1-benzothiophen-5-yl)methanol
CID 130898913

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole?
The IUPAC name of 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole (CID 143769844) is 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole.
What is the SMILES notation for 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole?
The canonical SMILES for 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole is Cc1cc2c(ccc3sc(-c4ccc(-c5cc6c(ccc7sc(C)cc76)s5)s4)cc32)s1.
What is the InChIKey of 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole?
The InChIKey is JOHLKLLKANMJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16S5/c1-13-9-15-17-11-25(29-21(17)5-3-19(15)27-13)23-7-8-24(31-23)26-12-18-16-10-14(2)28-20(16)4-6-22(18)30-26/h3-12H,1-2H3.
What are the key properties of 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole?
7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole has a molecular weight of 488.75 g/mol, XLogP of 10.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[5-(7-methylthieno[3,2-e][1]benzothiol-2-yl)thiophen-2-yl]thieno[3,2-e][1]benzothiole is sourced from PubChem (CID 143769844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).