1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene

C18H20S — CID 134934599

IUPAC1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene
SMILESC/C=C(/Cc1ccc(C)cc1)Sc1ccc(C)cc1
InChIInChI=1S/C18H20S/c1-4-17(13-16-9-5-14(2)6-10-16)19-18-11-7-15(3)8-12-18/h4-12H,13H2,1-3H3/b17-4-
InChIKeyUZYSVUCTNUSSEU-INGKJJEOSA-N
MW268.43 g/mol
LogP5.54
Rot. Bonds4

About 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene

1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene (PubChem CID 134934599) has the molecular formula C18H20S and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene
PubChem CID134934599
Molecular FormulaC18H20S
Molecular Weight268.43 g/mol
Exact Mass268.13
IUPAC Name1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene
SMILESC/C=C(/Cc1ccc(C)cc1)Sc1ccc(C)cc1
InChIInChI=1S/C18H20S/c1-4-17(13-16-9-5-14(2)6-10-16)19-18-11-7-15(3)8-12-18/h4-12H,13H2,1-3H3/b17-4-
InChIKeyUZYSVUCTNUSSEU-INGKJJEOSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.43
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-(4-methylphenyl)sulfanyl-4-phenylbut-2-enenitrile
CID 102321270
1-methyl-4-(2-propan-2-ylbut-2-enyl)benzene
CID 123349804
(E)-2-(4-methylphenyl)sulfanylhex-2-en-1-ol
CID 46177703
1-methyl-4-[1-(4-methylphenyl)sulfanylhex-1-en-2-ylsulfanyl]benzene
CID 71401794
1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiol
CID 76564021
(E)-2-(4-chlorophenyl)sulfanylbut-2-en-1-ol
CID 46177626
O-ethyl (4-methylphenyl)sulfanylmethanethioate
CID 15256931
(E)-1-(4-methylphenyl)pent-3-en-2-one
CID 21252003
2-(4-methylphenyl)sulfanylprop-2-enal
CID 15627206
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-[(2Z,3Z)-2-ethylidene-5-methylhexa-3,5-dienyl]-4-methylbenzene
CID 143365182
(Z)-4,5-dimethyl-3-(4-methylphenyl)sulfanylhex-3-en-2-one
CID 10658218

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene?
The IUPAC name of 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene (CID 134934599) is 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene.
What is the SMILES notation for 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene?
The canonical SMILES for 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene is C/C=C(/Cc1ccc(C)cc1)Sc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene?
The InChIKey is UZYSVUCTNUSSEU-INGKJJEOSA-N. The full InChI is InChI=1S/C18H20S/c1-4-17(13-16-9-5-14(2)6-10-16)19-18-11-7-15(3)8-12-18/h4-12H,13H2,1-3H3/b17-4-.
What are the key properties of 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene?
1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene has a molecular weight of 268.43 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-1-(4-methylphenyl)but-2-en-2-yl]sulfanylbenzene is sourced from PubChem (CID 134934599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).