7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene

C9H12S — CID 123391368

IUPAC7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene
SMILESCSC1=CC(C)C=CC=C1
InChIInChI=1S/C9H12S/c1-8-5-3-4-6-9(7-8)10-2/h3-8H,1-2H3
InChIKeyKYNWYHLALZPBNA-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.00
Rot. Bonds1

About 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene

7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene (PubChem CID 123391368) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene
PubChem CID123391368
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene
SMILESCSC1=CC(C)C=CC=C1
InChIInChI=1S/C9H12S/c1-8-5-3-4-6-9(7-8)10-2/h3-8H,1-2H3
InChIKeyKYNWYHLALZPBNA-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
ethane;5-methylcyclopenta-1,3-diene
CID 91295870
7-methyl-2-phenylcyclohepta-1,3,5-triene;toluene
CID 142553617
ethane;7-methyl-2-methylsulfanyl-3-prop-1-en-2-ylcyclohepta-1,3,5-triene
CID 142148820
2-[4-(3-methylcyclohepta-1,4,6-trien-1-yl)cyclohexyl]ethanamine
CID 153338487
1-methyl-3-methylsulfanylcyclohepta-2,4,6-trien-1-amine
CID 142348741
1-(3-methylcyclohepta-1,4,6-trien-1-yl)-3-azabicyclo[3.1.0]hexane
CID 143414844
cobalt;cyclopentane;5-methylcyclopenta-1,3-diene
CID 172773406
carbon monoxide;manganese;5-methylcyclopenta-1,3-diene
CID 139595537
ethyl 2,2-difluoro-2-(3-methylcyclohepta-1,4,6-trien-1-yl)acetate
CID 143545774
2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene
CID 170731638
3-(3-methylcyclohepta-1,4,6-trien-1-yl)pyrrolidine-1-carbaldehyde
CID 178112872

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene?
The IUPAC name of 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene (CID 123391368) is 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene?
The canonical SMILES for 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene is CSC1=CC(C)C=CC=C1.
What is the InChIKey of 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene?
The InChIKey is KYNWYHLALZPBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-8-5-3-4-6-9(7-8)10-2/h3-8H,1-2H3.
What are the key properties of 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene?
7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene has a molecular weight of 152.26 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-methylsulfanylcyclohepta-1,3,5-triene is sourced from PubChem (CID 123391368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).