(1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene

C8H11FS — CID 142097950

IUPAC(1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene
SMILESC/C=C(F)\C=C/C=C/SC
InChIInChI=1S/C8H11FS/c1-3-8(9)6-4-5-7-10-2/h3-7H,1-2H3/b6-4-,7-5+,8-3+
InChIKeyMPTZATOTCCWOSX-LYURDHKTSA-N
MW158.24 g/mol
LogP3.29
Rot. Bonds3

About (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene

(1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene (PubChem CID 142097950) has the molecular formula C8H11FS and a molecular weight of 158.24 g/mol. Its IUPAC name is (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene
PubChem CID142097950
Molecular FormulaC8H11FS
Molecular Weight158.24 g/mol
Exact Mass158.06
IUPAC Name(1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene
SMILESC/C=C(F)\C=C/C=C/SC
InChIInChI=1S/C8H11FS/c1-3-8(9)6-4-5-7-10-2/h3-7H,1-2H3/b6-4-,7-5+,8-3+
InChIKeyMPTZATOTCCWOSX-LYURDHKTSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene 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

1-Methylthio-1,3-pentadiene
CID 53780167
Methylthionin chloride
CID 129852088
(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
(3E)-2-ethylsulfanyl-4-fluoropenta-1,3-diene
CID 142053850
1-Fluoro-5-methylsulfanylcyclohepta-1,2,4,6-tetraene
CID 142185338
(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
(2Z,4E)-4-fluorohexa-2,4-dienethial
CID 146259187
(3Z)-2-(1-fluoroethylsulfanyl)hexa-1,3,5-triene
CID 169957674
(3E)-2-fluoro-3-methylsulfanylhexa-1,3,5-triene
CID 171501781

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene?
The IUPAC name of (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene (CID 142097950) is (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene is C/C=C(F)\C=C/C=C/SC.
What is the InChIKey of (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene?
The InChIKey is MPTZATOTCCWOSX-LYURDHKTSA-N. The full InChI is InChI=1S/C8H11FS/c1-3-8(9)6-4-5-7-10-2/h3-7H,1-2H3/b6-4-,7-5+,8-3+.
What are the key properties of (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene?
(1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene has a molecular weight of 158.24 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-5-fluoro-1-methylsulfanylhepta-1,3,5-triene is sourced from PubChem (CID 142097950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).