3,6-dimethyl-6,7-dihydro-1-benzothiophene

C10H12S — CID 143335332

IUPAC3,6-dimethyl-6,7-dihydro-1-benzothiophene
SMILESCc1csc2c1C=CC(C)C2
InChIInChI=1S/C10H12S/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-4,6-7H,5H2,1-2H3
InChIKeyZPYNJINKKCQLDJ-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.26
Rot. Bonds

About 3,6-dimethyl-6,7-dihydro-1-benzothiophene

3,6-dimethyl-6,7-dihydro-1-benzothiophene (PubChem CID 143335332) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3,6-dimethyl-6,7-dihydro-1-benzothiophene.

Molecular Properties

Compound Name3,6-dimethyl-6,7-dihydro-1-benzothiophene
PubChem CID143335332
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name3,6-dimethyl-6,7-dihydro-1-benzothiophene
SMILESCc1csc2c1C=CC(C)C2
InChIInChI=1S/C10H12S/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-4,6-7H,5H2,1-2H3
InChIKeyZPYNJINKKCQLDJ-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
(5R)-2-chloro-1,5-dimethylcyclohexa-1,3-diene
CID 130391076
3,7-dimethyl-6,7-dihydro-1-benzothiophene
CID 142881459
6-methyl-6,7-dihydro-1,3-benzothiazol-2-amine
CID 89004071
(2,4-dimethylcyclohexa-1,5-dien-1-yl)phosphane;methanamine;molecular hydrogen
CID 143344740
2-methyl-1,2-dihydrotriphenylene
CID 145204096
3-methyl-4,5,6,7-tetrahydro-1-benzothiophene-4,5-diol
CID 130143918
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 143793879
2,2-difluoro-5-methyl-4,5-dihydro-1,3-benzodioxole
CID 162548392
1,2-dibromo-5-methylcyclohexa-1,3-diene
CID 163708440
2,7-dimethyl-1,2,5,6-tetrahydrophenanthrene
CID 143534934
7-methyl-7,8-dihydroquinazolin-4-amine
CID 135259181

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-6,7-dihydro-1-benzothiophene?
The IUPAC name of 3,6-dimethyl-6,7-dihydro-1-benzothiophene (CID 143335332) is 3,6-dimethyl-6,7-dihydro-1-benzothiophene.
What is the SMILES notation for 3,6-dimethyl-6,7-dihydro-1-benzothiophene?
The canonical SMILES for 3,6-dimethyl-6,7-dihydro-1-benzothiophene is Cc1csc2c1C=CC(C)C2.
What is the InChIKey of 3,6-dimethyl-6,7-dihydro-1-benzothiophene?
The InChIKey is ZPYNJINKKCQLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-7-3-4-9-8(2)6-11-10(9)5-7/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 3,6-dimethyl-6,7-dihydro-1-benzothiophene?
3,6-dimethyl-6,7-dihydro-1-benzothiophene has a molecular weight of 164.27 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-6,7-dihydro-1-benzothiophene is sourced from PubChem (CID 143335332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).