3-methylthieno[3,2-f][1]benzothiole

C11H8S2 — CID 20824629

IUPAC3-methylthieno[3,2-f][1]benzothiole
SMILESCc1csc2cc3sccc3cc12
InChIInChI=1S/C11H8S2/c1-7-6-13-11-5-10-8(2-3-12-10)4-9(7)11/h2-6H,1H3
InChIKeyQSXLLAXYVQQXCS-UHFFFAOYSA-N
MW204.32 g/mol
LogP4.42
Rot. Bonds

About 3-methylthieno[3,2-f][1]benzothiole

3-methylthieno[3,2-f][1]benzothiole (PubChem CID 20824629) has the molecular formula C11H8S2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-methylthieno[3,2-f][1]benzothiole.

Molecular Properties

Compound Name3-methylthieno[3,2-f][1]benzothiole
PubChem CID20824629
Molecular FormulaC11H8S2
Molecular Weight204.32 g/mol
Exact Mass204.01
IUPAC Name3-methylthieno[3,2-f][1]benzothiole
SMILESCc1csc2cc3sccc3cc12
InChIInChI=1S/C11H8S2/c1-7-6-13-11-5-10-8(2-3-12-10)4-9(7)11/h2-6H,1H3
InChIKeyQSXLLAXYVQQXCS-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylbenzo[f][1]benzothiole
CID 129087639
7,19-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2(10),3,5,8,11,14(22),15,17,20,23-undecaene
CID 58410823
3,7,18,22-tetrathiaoctacyclo[14.14.0.02,13.04,12.06,10.017,28.019,27.021,25]triaconta-1(16),2(13),4(12),5,8,10,14,17(28),19(27),20,23,25,29-tridecaene
CID 123242339
6-fluoro-3,5-dimethyl-1-benzothiophene
CID 89233564
actinium;(3-methyl-1-benzothiophen-5-yl)azanide
CID 20824575
5,17-dithiahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58410946
2-(6-methyl-1-benzothiophen-5-yl)ethanamine
CID 82374408
6-chloro-3-methyl-1-benzothiophen-5-ol
CID 13085745
7-iodo-8-methyl-9,15,21-trithiaheptacyclo[14.11.0.02,14.04,12.06,10.018,26.020,24]heptacosa-1(16),2(14),3,5,7,10,12,17,19,22,24,26-dodecaene
CID 166868554
3-methyl-1-benzothiophene;zinc
CID 70563074
5,6-ditert-butyl-1-benzothiophene
CID 58774764
2-methylthieno[3,2-f][1]benzofuran
CID 69041141

Frequently Asked Questions

What is the IUPAC name of 3-methylthieno[3,2-f][1]benzothiole?
The IUPAC name of 3-methylthieno[3,2-f][1]benzothiole (CID 20824629) is 3-methylthieno[3,2-f][1]benzothiole.
What is the SMILES notation for 3-methylthieno[3,2-f][1]benzothiole?
The canonical SMILES for 3-methylthieno[3,2-f][1]benzothiole is Cc1csc2cc3sccc3cc12.
What is the InChIKey of 3-methylthieno[3,2-f][1]benzothiole?
The InChIKey is QSXLLAXYVQQXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8S2/c1-7-6-13-11-5-10-8(2-3-12-10)4-9(7)11/h2-6H,1H3.
What are the key properties of 3-methylthieno[3,2-f][1]benzothiole?
3-methylthieno[3,2-f][1]benzothiole has a molecular weight of 204.32 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylthieno[3,2-f][1]benzothiole is sourced from PubChem (CID 20824629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).