1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite

C22H29FS — CID 142037591

IUPAC1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite
SMILESC=C(c1ccccc1)c1ccc(/C(C)=C\C)c(C)c1.CC.CSF
InChIInChI=1S/C19H20.C2H6.CH3FS/c1-5-14(2)19-12-11-18(13-15(19)3)16(4)17-9-7-6-8-10-17;1-2;1-3-2/h5-13H,4H2,1-3H3;1-2H3;1H3/b14-5-;;
InChIKeyMOCHPMGRJWBPNM-VGBRJKJSSA-N
MW344.54 g/mol
LogP7.74
Rot. Bonds3

About 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite

1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite (PubChem CID 142037591) has the molecular formula C22H29FS and a molecular weight of 344.54 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite
PubChem CID142037591
Molecular FormulaC22H29FS
Molecular Weight344.54 g/mol
Exact Mass344.20
IUPAC Name1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite
SMILESC=C(c1ccccc1)c1ccc(/C(C)=C\C)c(C)c1.CC.CSF
InChIInChI=1S/C19H20.C2H6.CH3FS/c1-5-14(2)19-12-11-18(13-15(19)3)16(4)17-9-7-6-8-10-17;1-2;1-3-2/h5-13H,4H2,1-3H3;1-2H3;1H3/b14-5-;;
InChIKeyMOCHPMGRJWBPNM-VGBRJKJSSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite with MolForge

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Related Compounds

4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
CID 91045189
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;ethane;methane
CID 153374164
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
ethane;4-(1-phenylethenyl)benzene-1,2-diamine
CID 54049505
1-[(Z)-but-2-en-2-yl]-2,4-dimethylbenzene;prop-1-ene
CID 143717580
[(E)-but-2-en-2-yl]benzene;methane;2-methylprop-1-ene
CID 155717398
1-phenylethenylbenzene;hydrochloride
CID 70400725
potassium 1-phenylethenylbenzene
CID 19358731
1,3-bis[1-(4-methylsulfanylphenyl)ethenyl]benzene
CID 121386952
ethane;1-methyl-2-[(3Z)-3-phenylpenta-1,3-dien-2-yl]benzene
CID 143592596
1,2,3,4-tetramethyl-5-(1-phenylethenyl)benzene
CID 4285324
1,3-dimethyl-4-(1-phenylethenyl)-2-prop-1-en-2-ylbenzene
CID 144558662

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite (CID 142037591) is 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite is C=C(c1ccccc1)c1ccc(/C(C)=C\C)c(C)c1.CC.CSF.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite?
The InChIKey is MOCHPMGRJWBPNM-VGBRJKJSSA-N. The full InChI is InChI=1S/C19H20.C2H6.CH3FS/c1-5-14(2)19-12-11-18(13-15(19)3)16(4)17-9-7-6-8-10-17;1-2;1-3-2/h5-13H,4H2,1-3H3;1-2H3;1H3/b14-5-;;.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite?
1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite has a molecular weight of 344.54 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-2-methyl-4-(1-phenylethenyl)benzene;ethane;methyl thiohypofluorite is sourced from PubChem (CID 142037591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).