1-fluoroethenylsulfanylmethylbenzene

C9H9FS — CID 10877515

IUPAC1-fluoroethenylsulfanylmethylbenzene
SMILESC=C(F)SCc1ccccc1
InChIInChI=1S/C9H9FS/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyHHSZBBCFEQYPPJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.36
Rot. Bonds3

About 1-fluoroethenylsulfanylmethylbenzene

1-fluoroethenylsulfanylmethylbenzene (PubChem CID 10877515) has the molecular formula C9H9FS and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-fluoroethenylsulfanylmethylbenzene.

Molecular Properties

Compound Name1-fluoroethenylsulfanylmethylbenzene
PubChem CID10877515
Molecular FormulaC9H9FS
Molecular Weight168.24 g/mol
Exact Mass168.04
IUPAC Name1-fluoroethenylsulfanylmethylbenzene
SMILESC=C(F)SCc1ccccc1
InChIInChI=1S/C9H9FS/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,1,7H2
InChIKeyHHSZBBCFEQYPPJ-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzylsulfanyl-N,N-dimethylprop-2-en-1-amine
CID 16726576
benzylsulfanylmethanethioic S-acid;hydrochloride
CID 88841648
3-benzylsulfanyl-3-oxopropanoic acid
CID 11816634
(Z)-3-benzylsulfanyl-3-fluoro-2-(trifluoromethyl)prop-2-enenitrile
CID 5368247
[(3Z,5E)-5-bromohepta-1,3,5-trien-2-yl]sulfanylmethylbenzene
CID 129044201
ethane;hydroxysulfanylmethylbenzene
CID 143821204
S-benzyl ethanethioate;propanoic acid
CID 157378732
O-benzyl benzylsulfanylmethanethioate
CID 12651692
S-benzyl N-phenylcarbamothioate
CID 11459176
benzyl N'-phenylcarbamimidothioate
CID 8774856
(2-benzylsulfanyl-1-bromo-2-phenylethenyl)benzene
CID 166445914
benzyl carbamimidothioate;hydron;iodide
CID 174804173

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethenylsulfanylmethylbenzene?
The IUPAC name of 1-fluoroethenylsulfanylmethylbenzene (CID 10877515) is 1-fluoroethenylsulfanylmethylbenzene.
What is the SMILES notation for 1-fluoroethenylsulfanylmethylbenzene?
The canonical SMILES for 1-fluoroethenylsulfanylmethylbenzene is C=C(F)SCc1ccccc1.
What is the InChIKey of 1-fluoroethenylsulfanylmethylbenzene?
The InChIKey is HHSZBBCFEQYPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FS/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,1,7H2.
What are the key properties of 1-fluoroethenylsulfanylmethylbenzene?
1-fluoroethenylsulfanylmethylbenzene has a molecular weight of 168.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethenylsulfanylmethylbenzene is sourced from PubChem (CID 10877515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).