7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole

C14H16S2 — CID 70851522

IUPAC7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole
SMILESCc1csc2c1Cc1sc(C(C)C)cc1C2
InChIInChI=1S/C14H16S2/c1-8(2)12-4-10-5-14-11(6-13(10)16-12)9(3)7-15-14/h4,7-8H,5-6H2,1-3H3
InChIKeyIGJOJAPWBORJID-UHFFFAOYSA-N
MW248.42 g/mol
LogP4.74
Rot. Bonds1

About 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole

7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole (PubChem CID 70851522) has the molecular formula C14H16S2 and a molecular weight of 248.42 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole
PubChem CID70851522
Molecular FormulaC14H16S2
Molecular Weight248.42 g/mol
Exact Mass248.07
IUPAC Name7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole
SMILESCc1csc2c1Cc1sc(C(C)C)cc1C2
InChIInChI=1S/C14H16S2/c1-8(2)12-4-10-5-14-11(6-13(10)16-12)9(3)7-15-14/h4,7-8H,5-6H2,1-3H3
InChIKeyIGJOJAPWBORJID-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole?
The IUPAC name of 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole (CID 70851522) is 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole.
What is the SMILES notation for 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole?
The canonical SMILES for 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole is Cc1csc2c1Cc1sc(C(C)C)cc1C2.
What is the InChIKey of 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole?
The InChIKey is IGJOJAPWBORJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S2/c1-8(2)12-4-10-5-14-11(6-13(10)16-12)9(3)7-15-14/h4,7-8H,5-6H2,1-3H3.
What are the key properties of 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole?
7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole has a molecular weight of 248.42 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-4,8-dihydrothieno[2,3-f][1]benzothiole is sourced from PubChem (CID 70851522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).