4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene

C13H16S — CID 139885459

IUPAC4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene
SMILESCSc1ccc2c(c1C)C=CCCC2
InChIInChI=1S/C13H16S/c1-10-12-7-5-3-4-6-11(12)8-9-13(10)14-2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyQIVGIUGNRJKOIU-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.07
Rot. Bonds1

About 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene

4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene (PubChem CID 139885459) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene.

Molecular Properties

Compound Name4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene
PubChem CID139885459
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene
SMILESCSc1ccc2c(c1C)C=CCCC2
InChIInChI=1S/C13H16S/c1-10-12-7-5-3-4-6-11(12)8-9-13(10)14-2/h5,7-9H,3-4,6H2,1-2H3
InChIKeyQIVGIUGNRJKOIU-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2,3,6,7-tetrahydro-1H-cyclopenta[a]naphthalene
CID 143658716
6-methyl-1,2-dihydrochrysene
CID 143566629
9,10-dimethylbicyclo[6.2.2]dodeca-1(10),8,11-triene
CID 15321172
1-ethyl-5,6-dihydroisoquinoline
CID 174496014
azane;2-methyl-1,3-bis(methylsulfanyl)benzene
CID 18755719
(5Z)-7,8,9,10-tetrahydrobenzo[8]annulene-4-carboxylic acid
CID 22261741
4-methyl-1H-inden-5-ol
CID 158925839
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 91587374
7,10-dimethyl-3,4-dihydrobenzo[c]carbazole
CID 146329246
5-(3,4-dimethylhex-5-yn-3-yl)-6-methyl-1,2-dihydronaphthalene
CID 143539268
(15Z)-6-methyltricyclo[9.6.0.03,8]heptadeca-1(11),3(8),4,6,15-pentaene
CID 142100998
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;ethane
CID 91587373

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene?
The IUPAC name of 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene (CID 139885459) is 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene.
What is the SMILES notation for 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene?
The canonical SMILES for 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene is CSc1ccc2c(c1C)C=CCCC2.
What is the InChIKey of 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene?
The InChIKey is QIVGIUGNRJKOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-10-12-7-5-3-4-6-11(12)8-9-13(10)14-2/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene?
4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene has a molecular weight of 204.34 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylsulfanyl-8,9-dihydro-7H-benzo[7]annulene is sourced from PubChem (CID 139885459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).