2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene

C12H14S2 — CID 117185902

IUPAC2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
SMILESCCSCc1cc2ccc(C)cc2s1
InChIInChI=1S/C12H14S2/c1-3-13-8-11-7-10-5-4-9(2)6-12(10)14-11/h4-7H,3,8H2,1-2H3
InChIKeyIRHROLPZWDBQLY-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.46
Rot. Bonds3

About 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene

2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene (PubChem CID 117185902) has the molecular formula C12H14S2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
PubChem CID117185902
Molecular FormulaC12H14S2
Molecular Weight222.38 g/mol
Exact Mass222.05
IUPAC Name2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
SMILESCCSCc1cc2ccc(C)cc2s1
InChIInChI=1S/C12H14S2/c1-3-13-8-11-7-10-5-4-9(2)6-12(10)14-11/h4-7H,3,8H2,1-2H3
InChIKeyIRHROLPZWDBQLY-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene
CID 117185899
2-(ethylsulfanylmethyl)-5-fluoro-1-benzothiophene
CID 117176433
2-(ethylsulfanylmethyl)-1-benzothiophen-5-amine
CID 117176418
3-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
CID 117185621
3-(ethylsulfanylmethyl)-5-methyl-1-benzothiophene
CID 117185080
(2-ethyl-1-benzothiophen-6-yl)methanamine
CID 84663632
2-(ethylsulfanylmethyl)-5-methylphenol
CID 14452460
2-ethylsulfanyl-6-methyl-1,3-benzothiazole
CID 119093087
6-methyl-1-benzothiophene-2-carboxylic acid
CID 12813850
2,6-dimethylnaphthalene;propane
CID 142191183
5-methyl-2-(2-methylpropyl)-1-benzothiophene
CID 70881038
dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
CID 7172332

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene?
The IUPAC name of 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene (CID 117185902) is 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene?
The canonical SMILES for 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene is CCSCc1cc2ccc(C)cc2s1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene?
The InChIKey is IRHROLPZWDBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S2/c1-3-13-8-11-7-10-5-4-9(2)6-12(10)14-11/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene?
2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene has a molecular weight of 222.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene is sourced from PubChem (CID 117185902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).