7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole

C15H16S2 — CID 144783026

IUPAC7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
SMILESCCc1cc2c(ccc3sc(C(C)C)cc32)s1
InChIInChI=1S/C15H16S2/c1-4-10-7-11-12-8-15(9(2)3)17-14(12)6-5-13(11)16-10/h5-9H,4H2,1-3H3
InChIKeyJQAHMLZOXZWJRS-UHFFFAOYSA-N
MW260.43 g/mol
LogP5.80
Rot. Bonds2

About 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole

7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole (PubChem CID 144783026) has the molecular formula C15H16S2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole.

Molecular Properties

Compound Name7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
PubChem CID144783026
Molecular FormulaC15H16S2
Molecular Weight260.43 g/mol
Exact Mass260.07
IUPAC Name7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
SMILESCCc1cc2c(ccc3sc(C(C)C)cc32)s1
InChIInChI=1S/C15H16S2/c1-4-10-7-11-12-8-15(9(2)3)17-14(12)6-5-13(11)16-10/h5-9H,4H2,1-3H3
InChIKeyJQAHMLZOXZWJRS-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.43
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole with MolForge

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Related Compounds

7,16-diethyl-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 118651605
7-ethyl-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 58411414
4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
CID 130792061
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
CID 130913641
5-bromo-4-chloro-2-ethyl-1-benzothiophene
CID 131030854
2-ethyl-4-iodo-1-benzothiophene
CID 135322307
4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
CID 130788319
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
4,9,14-tri(propan-2-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 90225313
4-bromo-2,6-diethyl-1-benzothiophene
CID 131029500
2-ethyl-N-(2-phenylethyl)thieno[3,2-c]pyridin-4-amine
CID 141140835
1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
CID 170864486

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole?
The IUPAC name of 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole (CID 144783026) is 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole.
What is the SMILES notation for 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole?
The canonical SMILES for 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole is CCc1cc2c(ccc3sc(C(C)C)cc32)s1.
What is the InChIKey of 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole?
The InChIKey is JQAHMLZOXZWJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S2/c1-4-10-7-11-12-8-15(9(2)3)17-14(12)6-5-13(11)16-10/h5-9H,4H2,1-3H3.
What are the key properties of 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole?
7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole has a molecular weight of 260.43 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole is sourced from PubChem (CID 144783026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).