1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene

C17H18S — CID 102380386

IUPAC1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1SC(C)c1ccccc1
InChIInChI=1S/C17H18S/c1-13(2)16-11-7-8-12-17(16)18-14(3)15-9-5-4-6-10-15/h4-12,14H,1H2,2-3H3
InChIKeyKDDRGCCBYNDPHG-UHFFFAOYSA-N
MW254.40 g/mol
LogP5.57
Rot. Bonds4

About 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene

1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene (PubChem CID 102380386) has the molecular formula C17H18S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene
PubChem CID102380386
Molecular FormulaC17H18S
Molecular Weight254.40 g/mol
Exact Mass254.11
IUPAC Name1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1SC(C)c1ccccc1
InChIInChI=1S/C17H18S/c1-13(2)16-11-7-8-12-17(16)18-14(3)15-9-5-4-6-10-15/h4-12,14H,1H2,2-3H3
InChIKeyKDDRGCCBYNDPHG-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(1-phenylethylsulfanyl)phenyl]ethanone
CID 177481013
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
1-(3-methylbut-3-en-2-ylsulfanyl)ethylbenzene
CID 164914958
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
[(1R)-1-[[(1R)-1-phenylethyl]disulfanyl]ethyl]benzene
CID 12525253
1,2-bis(prop-1-en-2-yl)benzene;toluene
CID 173384676
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
2-propan-2-yl-1,3-bis(prop-1-en-2-yl)benzene
CID 141209236
1-propan-2-yl-2-prop-1-en-2-ylbenzene;1-propan-2-yl-3-prop-1-en-2-ylbenzene
CID 173398854
4-chloro-2-(1-phenylethylsulfanyl)aniline
CID 79528407
4-[1-(2-chlorophenyl)sulfanylethyl]aniline
CID 61263538
(3R)-3-phenylbut-1-en-2-ol
CID 89028601

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene (CID 102380386) is 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene is C=C(C)c1ccccc1SC(C)c1ccccc1.
What is the InChIKey of 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene?
The InChIKey is KDDRGCCBYNDPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S/c1-13(2)16-11-7-8-12-17(16)18-14(3)15-9-5-4-6-10-15/h4-12,14H,1H2,2-3H3.
What are the key properties of 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene?
1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene has a molecular weight of 254.40 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethylsulfanyl)-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 102380386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).