1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene

C14H18S — CID 170033214

IUPAC1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene
SMILESC=C(S/C=C(/C)CCC)c1ccccc1
InChIInChI=1S/C14H18S/c1-4-8-12(2)11-15-13(3)14-9-6-5-7-10-14/h5-7,9-11H,3-4,8H2,1-2H3/b12-11-
InChIKeyDWCJUGVUGIBCSI-QXMHVHEDSA-N
MW218.37 g/mol
LogP5.09
Rot. Bonds5

About 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene

1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene (PubChem CID 170033214) has the molecular formula C14H18S and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene
PubChem CID170033214
Molecular FormulaC14H18S
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene
SMILESC=C(S/C=C(/C)CCC)c1ccccc1
InChIInChI=1S/C14H18S/c1-4-8-12(2)11-15-13(3)14-9-6-5-7-10-14/h5-7,9-11H,3-4,8H2,1-2H3/b12-11-
InChIKeyDWCJUGVUGIBCSI-QXMHVHEDSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

pent-1-en-2-ylbenzene
CID 521761
butan-2-one;1-chloro-4-[(E)-1-(1-phenylethenylsulfanyl)prop-1-en-2-yl]benzene;ethane
CID 142178800
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
1-phenylbutan-1-one
CID 10315
[(E)-but-2-en-2-yl]benzene;heptane;2-methylprop-1-ene
CID 144959576
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
lithium;butane;prop-1-en-2-ylbenzene
CID 173314205
pentan-2-one;1-phenylethanone
CID 142883835
pent-1-en-2-yl benzoate
CID 13444592
(1-ethyl-5-phenylhexa-1,5-dienyl)benzene
CID 57250345

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene?
The IUPAC name of 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene (CID 170033214) is 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene.
What is the SMILES notation for 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene?
The canonical SMILES for 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene is C=C(S/C=C(/C)CCC)c1ccccc1.
What is the InChIKey of 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene?
The InChIKey is DWCJUGVUGIBCSI-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H18S/c1-4-8-12(2)11-15-13(3)14-9-6-5-7-10-14/h5-7,9-11H,3-4,8H2,1-2H3/b12-11-.
What are the key properties of 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene?
1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene has a molecular weight of 218.37 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene is sourced from PubChem (CID 170033214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).