7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C12H16S — CID 142185328

IUPAC7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCSC1CCc2ccccc2CC1
InChIInChI=1S/C12H16S/c1-13-12-8-6-10-4-2-3-5-11(10)7-9-12/h2-5,12H,6-9H2,1H3
InChIKeyNEZCAOUQTFROOR-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.30
Rot. Bonds1

About 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene

7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 142185328) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID142185328
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCSC1CCc2ccccc2CC1
InChIInChI=1S/C12H16S/c1-13-12-8-6-10-4-2-3-5-11(10)7-9-12/h2-5,12H,6-9H2,1H3
InChIKeyNEZCAOUQTFROOR-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene
CID 130736237
2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene
CID 143252120
methylsulfanylcyclopropane
CID 12678402
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
2-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)propanoic acid
CID 154312707
N-(3-methylsulfanylcyclohexyl)-2,3-dihydro-1H-inden-1-amine
CID 103784505
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
2-[2-[diethyl(methyl)azaniumyl]ethyl-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl-diethyl-methylazanium diiodide
CID 24833666
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
trimethyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yloxy)silane
CID 589002
1-ethyl-2,3-dihydro-1H-indene
CID 20971

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 142185328) is 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is CSC1CCc2ccccc2CC1.
What is the InChIKey of 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is NEZCAOUQTFROOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-13-12-8-6-10-4-2-3-5-11(10)7-9-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 192.33 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 142185328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).