1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene

C8H7FS — CID 142185338

IUPAC1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene
SMILESCSC1=CC=C=C(F)C=C1
InChIInChI=1S/C8H7FS/c1-10-8-4-2-3-7(9)5-6-8/h2,4-6H,1H3
InChIKeyIATOZODYNBCCTD-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.81
Rot. Bonds1

About 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene

1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene (PubChem CID 142185338) has the molecular formula C8H7FS and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene
PubChem CID142185338
Molecular FormulaC8H7FS
Molecular Weight154.21 g/mol
Exact Mass154.03
IUPAC Name1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene
SMILESCSC1=CC=C=C(F)C=C1
InChIInChI=1S/C8H7FS/c1-10-8-4-2-3-7(9)5-6-8/h2,4-6H,1H3
InChIKeyIATOZODYNBCCTD-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene 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

5,7-Difluoro-4-methylsulfanylcyclohepta-1,2,4,6-tetraene
CID 123948529
(3E)-4-fluoro-2-[(2E)-penta-2,4-dien-2-yl]sulfanylpenta-1,3-diene
CID 135231187
(3E)-2-ethenylsulfanyl-4-fluoropenta-1,3-diene
CID 141960659
(1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene
CID 142097950
(3Z)-2-fluoro-5-methylsulfanylhexa-1,3,5-triene
CID 143206163
(3E,5Z)-2-fluoro-3-methylsulfanylhepta-1,3,5-triene
CID 143284367
(3E)-4-fluoro-2-methylsulfanylhexa-1,3,5-triene
CID 145127512
(3Z)-2-(1-fluoroethylsulfanyl)hexa-1,3,5-triene
CID 169957674
(3E)-2-fluoro-3-methylsulfanylhexa-1,3,5-triene
CID 171501781
(3E)-2-fluoro-4-methylsulfanylhexa-1,3,5-triene
CID 171502135
(3E,5Z)-2-ethylsulfanyl-3-fluorohepta-1,3,5-triene
CID 142043696
(1E,3E)-2-ethenylsulfanyl-1-fluoropenta-1,3-diene
CID 142816438

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene?
The IUPAC name of 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene (CID 142185338) is 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene is CSC1=CC=C=C(F)C=C1.
What is the InChIKey of 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene?
The InChIKey is IATOZODYNBCCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FS/c1-10-8-4-2-3-7(9)5-6-8/h2,4-6H,1H3.
What are the key properties of 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene?
1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene has a molecular weight of 154.21 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 142185338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).