3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene

C14H16S — CID 154947836

IUPAC3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
SMILESCC1CCc2c(sc3ccccc23)C1C
InChIInChI=1S/C14H16S/c1-9-7-8-12-11-5-3-4-6-13(11)15-14(12)10(9)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLDFAYBCIWAEAAY-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.59
Rot. Bonds

About 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene

3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene (PubChem CID 154947836) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene.

Molecular Properties

Compound Name3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
PubChem CID154947836
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene
SMILESCC1CCc2c(sc3ccccc23)C1C
InChIInChI=1S/C14H16S/c1-9-7-8-12-11-5-3-4-6-13(11)15-14(12)10(9)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyLDFAYBCIWAEAAY-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-1,2,3,4-tetrahydrodibenzothiophen-4-amine
CID 81453544
(1S)-1-propan-2-yl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
CID 821826
4-methyl-2,3,4,5-tetrahydro-1H-[1]benzothiolo[2,3-d]azepine
CID 164872463
4-bromo-1-methyl-1,2,3,4-tetrahydrodibenzothiophene
CID 115418076
5-chloro-1,2,4,5-tetrahydro-[1]benzothiolo[2,3-d]oxepine
CID 114287059
2-methyl-2-oxido-1-phenyl-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-ium
CID 12666898
bis(dibenzothiophene);ethane
CID 143921746
(13E)-13-methyl-3,24-dithiapentacyclo[15.7.0.02,10.04,9.018,23]tetracosa-1(17),2(10),4,6,8,13,18,20,22-nonaene
CID 177433786
N-(1,3,4,5-tetrahydro-[1]benzothiolo[2,3-c]oxepin-1-ylmethyl)ethanamine
CID 142603203
2-cyclopropyl-3-iodo-1-benzothiophene
CID 151628210
1,2,3,4-tetrahydro-[1]benzothiolo[3,2-c]pyridine
CID 11355956
3,4-dihydro-1H-thiopyrano[3,4-b][1]benzothiole
CID 154337332

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene?
The IUPAC name of 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene (CID 154947836) is 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene.
What is the SMILES notation for 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene?
The canonical SMILES for 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene is CC1CCc2c(sc3ccccc23)C1C.
What is the InChIKey of 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene?
The InChIKey is LDFAYBCIWAEAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-9-7-8-12-11-5-3-4-6-13(11)15-14(12)10(9)2/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene?
3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene has a molecular weight of 216.35 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1,2,3,4-tetrahydrodibenzothiophene is sourced from PubChem (CID 154947836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).