(2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone

C14H14OS2 — CID 102839735

IUPAC(2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
SMILESCc1sccc1C(=O)C1CCCc2sccc21
InChIInChI=1S/C14H14OS2/c1-9-10(5-7-16-9)14(15)12-3-2-4-13-11(12)6-8-17-13/h5-8,12H,2-4H2,1H3
InChIKeyRQNHWSJYSPFSGA-UHFFFAOYSA-N
MW262.40 g/mol
LogP4.42
Rot. Bonds2

About (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone

(2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone (PubChem CID 102839735) has the molecular formula C14H14OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
PubChem CID102839735
Molecular FormulaC14H14OS2
Molecular Weight262.40 g/mol
Exact Mass262.05
IUPAC Name(2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
SMILESCc1sccc1C(=O)C1CCCc2sccc21
InChIInChI=1S/C14H14OS2/c1-9-10(5-7-16-9)14(15)12-3-2-4-13-11(12)6-8-17-13/h5-8,12H,2-4H2,1H3
InChIKeyRQNHWSJYSPFSGA-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid
CID 62841259
2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-one
CID 105113140
(1-methylpyrazol-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 103133709
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)prop-2-en-1-one
CID 105110985
(2-methylcyclopentyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 107179387
(3-propylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 105134013
(5-methoxy-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone
CID 105124040
N-(4-chlorobutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 83178226
4,4,4-trifluoro-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butan-1-one
CID 105106892
N-(4-chloro-2,2-dimethylbutyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 106143031
N-(1-bromo-2-methylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 114308036
N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 113476112

Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone?
The IUPAC name of (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone (CID 102839735) is (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone.
What is the SMILES notation for (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone?
The canonical SMILES for (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone is Cc1sccc1C(=O)C1CCCc2sccc21.
What is the InChIKey of (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone?
The InChIKey is RQNHWSJYSPFSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS2/c1-9-10(5-7-16-9)14(15)12-3-2-4-13-11(12)6-8-17-13/h5-8,12H,2-4H2,1H3.
What are the key properties of (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone?
(2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone has a molecular weight of 262.40 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methanone is sourced from PubChem (CID 102839735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).